UCSF

ZINC16082917

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 19 Yes

Popular Name: (3R)-3-amino-1-benzyl-5-bromo-indolin-2-one (3R)-3-amino-1-benzyl-5-bromo-in…

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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) 0.85 6.33 -6.19 2 3 0 46 317.186 2 ↓
Lo Low (pH 4.5-6) 0.85 6.65 -46.26 3 3 1 48 318.194 2 ↓
Lo Low (pH 4.5-6) 0.85 6.64 -44.87 3 3 1 48 318.194 2 ↓

Activity (Go SEA)

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