UCSF

ZINC86861051

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 8 Yes

CAS Numbers: 91-95-2 , 95-54-5

Other Names:

3,3'-Diaminobenzidine

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) 0.35 -1.22 -33.79 5 2 1 54 111.168 0
Hi High (pH 8-9.5) 0.35 -1.49 -1.65 4 2 0 52 110.16 0

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

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