UCSF

ZINC04262317

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 20 Yes

Popular Name: Acridine Orange Acridine Orange

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10127-02-3 , 494-38-2 , 65-61-2 , N/A , [10127-02-3] , [494-38-2]

Download: MOL2 SDF SMILES Flexibase

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) 3.32 0.05 -13.79 0 3 0 19 265.36 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 165 Acros Organics
Mp [°C] 284 - 287 Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H332: Harmful if inhaled; H312: Harmful in contact with skin; H341: Suspected of causing genetic defects Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H302: Harmful if swallowed; H312: Harmful in contact with skin; H341: Suspected of causing genetic defects 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; P281: Use personal protective equipment as required; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P301+ Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R68: Possible risks of irreversible effects. Acros Organics
UniProt Database Links RNT2_DANRE; SGE1_YEAST; TOLC_SALEN ChEBI
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80412-1-O R3230AC (cluster #1 Of 1), Other Other 2290 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80412 Z80412 R3230AC 2290 0.39 Functional ≤ 10μM

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