UCSF

ZINC20219609

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol-2-one (5S)-1-(2-dimethylaminoethyl)-5-…

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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) 2.60 9.33 -75.98 1 6 0 74 398.434 7 ↓
Hi High (pH 8-9.5) 2.60 6.79 -58.2 0 6 -1 73 397.426 7 ↓
Lo Low (pH 4.5-6) 2.60 8.5 -57.9 2 6 1 71 399.442 7 ↓

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