UCSF

ZINC16741463

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 31 No

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

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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) 4.55 9.46 -12.69 1 6 0 76 421.493 10 ↓
Mid Mid (pH 6-8) 3.97 10.15 -17.82 0 6 0 73 421.493 10 ↓

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