UCSF

ZINC20057179

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 28 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-5-(4-ethoxyphenyl)-3-hydroxy-4-(thiophene-2-carbonyl)-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) 2.74 8.92 -71.01 1 6 0 74 400.5 8 ↓
Hi High (pH 8-9.5) 2.74 6.38 -58.32 0 6 -1 73 399.492 8 ↓
Lo Low (pH 4.5-6) 2.74 8.1 -49.31 2 6 1 71 401.508 8 ↓

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