UCSF

ZINC19928012

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 27 No

Popular Name: (5R)-4-(4-chlorobenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(5-methyl-2-furyl)-5H-pyrrol-2-one (5R)-4-(4-chlorobenzoyl)-1-(2-di…

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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) 2.57 8.9 -70.07 1 6 0 78 388.851 6 ↓
Hi High (pH 8-9.5) 2.57 6.37 -56.49 0 6 -1 77 387.843 6 ↓
Lo Low (pH 4.5-6) 2.57 8.08 -49.8 2 6 1 75 389.859 6 ↓

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