UCSF

ZINC16742392

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 30 No

Popular Name: (5S)-4-(4-allyloxybenzoyl)-3-hydroxy-5-(3-methoxyphenyl)-1-propyl-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-3-hyd…

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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) 3.99 8.69 -12.74 1 6 0 76 407.466 9 ↓
Mid Mid (pH 6-8) 3.41 9.36 -19.43 0 6 0 73 407.466 9 ↓

Activity (Go SEA)

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