UCSF

ZINC12575228

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 30 No

Popular Name: (5R)-3-hydroxy-4-(4-methylbenzoyl)-5-(5-methyl-2-furyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one (5R)-3-hydroxy-4-(4-methylbenzoy…

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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) 2.18 6.27 -61.59 0 7 -1 86 409.462 6 ↓
Mid Mid (pH 6-8) 2.63 7.53 -59.62 2 7 1 84 411.478 5 ↓
Mid Mid (pH 6-8) 2.18 8.6 -76.81 1 7 0 87 410.47 6 ↓

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