UCSF

ZINC20442921

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 35 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-5-(2-methoxyphenyl)-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-3-h…

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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) 4.35 12.3 -69.53 1 7 0 83 480.605 12 ↓
Hi High (pH 8-9.5) 4.35 9.98 -59.09 0 7 -1 82 479.597 12 ↓
Lo Low (pH 4.5-6) 4.35 11.48 -49.18 2 7 1 81 481.613 12 ↓

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