UCSF

ZINC00967522

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 10 Yes

Popular Name: naphthalene naphthalene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1146-65-2 , 119-64-2 , 16341-53-0 , 1683-98-3 , 91-17-8 , 91-20-3 , [91-20-3]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 6.77 -3.52 0 0 0 0 128.174 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 218 Acros Organics
Boiling_Point 218? Alfa-Aesar
Boiling_Point 218° Alfa-Aesar
Mp [°C] 79 - 82 Acros Organics
MP 80-81° Oakwood Chemical
Melting_Point 80-82? Alfa-Aesar
Melting_Point 80-82° Alfa-Aesar
MP 81 TCI
Mp [°C] 81 - 83 Acros Organics
Purity 95% Fluorochem
Purity 99% Fluorochem
UniProt Database Links AMI1_ARATH; APO1_AGRAE; APO1_COPRA; CAS1_SOLTU; CDPK1_PLAF7; CDPK1_PLAFK; CDPK1_PLAYO; CP2F1_HUMAN; CP2F2_MOUSE; CP2F2_RAT; CP2F3_CAPHI; DHDH_CANFA; DHDH_MACFU; FAAH_ARATH; GNTDO_RALSP; HOA1_PSEPU; HPAH_GEOTN; NAGAA_RALSP; NAGAB_RALSP; NAGB_RALSP; NAGG_RA ChEBI
Target Caspase-9(P55211)&Caspase-3(P42574)&M-phase inducer phosphatase 1(P30304)&ATM interactor(O43313)&Nitric oxide synthase, inducible(P35228)&Nuclear factor erythroid 2-related factor 2(Q16236)&Mitogen-activated protein kinase 1(P28482)&Sulfotransferase 1A1(P Herbal Ingredients Targets
Patent Database Links EP0770615; EP0780363; EP0791849; EP0805190; EP0867753; EP0906783; EP0933354; EP0957080; EP0974584; EP0979823; EP0985648; EP0987254; EP0989125; EP1000936; EP1008296; EP1061075; EP1063222; EP1069120; EP1069124; EP1082960; EP1106605; EP1110966; EP1151994; EP ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H228: Flammable solid Acros Organics
H phrase H351: Suspected of causing cancer Acros Organics
H phrase H351: Suspected of causing cancer; H410: Very toxic to aquatic life with long lasting effects; H302: Harmful if swallowed Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P281: Use personal protective equipment as required; P273: Avoid release to the environment; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P233: Keep container tightly closed Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R40: Limited evidence of a carcinogenic effect.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves.; S46: If swallowed, seek medical advice immediately and show this container or label.; S60: This material and its container must be disposed of as hazardous waste.; S61: Avoid release to the environmen Acros Organics
Hazard XN: Harmful Acros Organics
Hazard XN: Harmful; N: Dangerous for the environment Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.