UCSF

ZINC20057843

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 30 No

Popular Name: (5R)-1-(2-dimethylaminoethyl)-5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methylbenzoyl)-5H-pyrrol-2-one (5R)-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) 3.29 10.91 -75.5 1 6 0 74 408.498 8 ↓
Hi High (pH 8-9.5) 3.29 8.38 -58.5 0 6 -1 73 407.49 8 ↓
Lo Low (pH 4.5-6) 3.29 10.08 -54.5 2 6 1 71 409.506 8 ↓

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