UCSF

ZINC13677610

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

Popular Name: (5R)-5-(4-chlorophenyl)-3-hydroxy-1-[3-(3H-imidazol-4-yl)propyl]-4-(4-methylbenzoyl)-5H-pyrrol-2-one (5R)-5-(4-chlorophenyl)-3-hydrox…

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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) 3.81 11.86 -73.84 2 6 0 90 435.911 7 ↓
Mid Mid (pH 6-8) 4.25 10.34 -35.75 2 6 0 86 435.911 6 ↓
Mid Mid (pH 6-8) 3.22 11.32 -29.71 1 6 0 83 435.911 7 ↓
Mid Mid (pH 6-8) 4.25 10.8 -56.72 3 6 1 88 436.919 6 ↓
Mid Mid (pH 6-8) 3.22 11.78 -53.92 2 6 1 84 436.919 7 ↓
Mid Mid (pH 6-8) 3.81 11.32 -65.9 1 6 -1 89 434.903 7 ↓

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

No pre-computed analogs available. Try a structural similarity search.