UCSF

ZINC20229700

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 31 No

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

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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) 3.77 11.65 -72.26 1 6 0 74 422.525 9 ↓
Hi High (pH 8-9.5) 3.77 9.1 -58.47 0 6 -1 73 421.517 9 ↓
Lo Low (pH 4.5-6) 3.77 10.82 -51.4 2 6 1 71 423.533 9 ↓

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