UCSF

ZINC19795648

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 19 Yes

Popular Name: (3S)-3-amino-1-[(4-fluorophenyl)methyl]indolin-2-one (3S)-3-amino-1-[(4-fluorophenyl)…

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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) 0.23 5.78 -8.28 2 3 0 46 256.28 2 ↓
Mid Mid (pH 6-8) 0.23 6.08 -45.09 3 3 1 48 257.288 2 ↓

Activity (Go SEA)

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