UCSF

ZINC20150161

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 29 No

Popular Name: (5S)-4-(benzofuran-2-carbonyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(3-pyridyl)-5H-pyrrol-2-one (5S)-4-(benzofuran-2-carbonyl)-1…

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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) 1.74 8.67 -72.66 1 7 0 91 391.427 6 ↓
Hi High (pH 8-9.5) 1.74 6.13 -59.83 0 7 -1 90 390.419 6 ↓
Lo Low (pH 4.5-6) 1.74 7.85 -50.7 2 7 1 88 392.435 6 ↓

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