UCSF

ZINC20394360

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 31 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-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) 3.98 10.68 -72.67 1 6 0 74 422.525 8 ↓
Hi High (pH 8-9.5) 3.98 8.15 -59.65 0 6 -1 73 421.517 8 ↓
Lo Low (pH 4.5-6) 3.98 9.87 -50.71 2 6 1 71 423.533 8 ↓

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