UCSF

ZINC16699792

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 31 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-4-(4-ethoxybenzoyl)-5-(2-fluorophenyl)-3-hydroxy-5H-pyrrol-2-one (5S)-1-(3-dimethylaminopropyl)-4…

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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) 3.23 10.02 -72.79 1 6 0 74 426.488 9 ↓
Mid Mid (pH 6-8) 3.67 9.07 -54.44 2 6 1 71 427.496 8 ↓
Mid Mid (pH 6-8) 2.64 9.88 -52.32 1 6 1 68 427.496 9 ↓

Activity (Go SEA)

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