UCSF

ZINC19898593

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 35 No

Popular Name: (5R)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(2-piperazin-1-ylethyl)-5H-pyrrol-2-on (5R)-5-(3,4-dimethoxyphenyl)-3-h…

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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) 1.41 5.51 -84.78 2 9 0 108 481.549 9 ↓
Lo Low (pH 4.5-6) 1.41 4.7 -57.72 3 9 1 105 482.557 9 ↓

Activity (Go SEA)

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