UCSF

ZINC20119902

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 32 No

Popular Name: (5R)-4-(3,4-dimethoxybenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one (5R)-4-(3,4-dimethoxybenzoyl)-1-…

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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) 2.11 8.56 -77.71 1 8 0 93 440.496 9 ↓
Hi High (pH 8-9.5) 2.11 6.04 -58.74 0 8 -1 91 439.488 9 ↓
Lo Low (pH 4.5-6) 2.11 7.74 -59.48 2 8 1 90 441.504 9 ↓

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