UCSF

ZINC03861517

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 23 Yes

Popular Name: Pararosaniline Pararosaniline

Find On: PubMed — Wikipedia — Google

CAS Number: 467-62-9

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) 1.75 -5.7 -6.86 7 4 0 98 305.381 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 205 Acros Organics
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H351: Suspected of causing cancer; H302: Harmful if swallowed; H332: Harmful if inhaled 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/phy 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.; R40: Limited evidence of a carcinogenic effect. Acros Organics
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
Z80951-2-O NIH3T3 (Fibroblasts) (cluster #2 Of 4), Other Other 200 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80951 Z80951 NIH3T3 (Fibroblasts) 200 0.41 Functional ≤ 10μM

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