UCSF

ZINC20227728

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Popular Name: (5S)-4-(4-allyloxybenzoyl)-3-hydroxy-5-(5-methyl-2-furyl)-1-(3-morpholinopropyl)-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) 2.70 7.12 -61.5 0 8 -1 95 465.526 10 ↓
Mid Mid (pH 6-8) 2.70 9.46 -74.83 1 8 0 96 466.534 10 ↓
Lo Low (pH 4.5-6) 2.70 8.64 -51.38 2 8 1 94 467.542 10 ↓

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