UCSF

ZINC20064995

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 31 No

Popular Name: (5S)-3-hydroxy-5-(3-methoxyphenyl)-1-(3-morpholinopropyl)-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one (5S)-3-hydroxy-5-(3-methoxypheny…

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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) 2.46 5.86 -59.84 0 7 -1 82 441.529 8 ↓
Mid Mid (pH 6-8) 2.46 8.2 -74.01 1 7 0 83 442.537 8 ↓
Lo Low (pH 4.5-6) 2.46 7.38 -49.47 2 7 1 81 443.545 8 ↓

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