UCSF

ZINC16736948

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 No

Popular Name: (5S)-5-(4-chlorophenyl)-3-hydroxy-4-[4-(o-tolylmethoxy)benzoyl]-1-(4-pyridylmethyl)-5H-pyrrol-2-one (5S)-5-(4-chlorophenyl)-3-hydrox…

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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) 5.22 14.21 -57.32 0 6 -1 83 523.996 8 ↓
Mid Mid (pH 6-8) 5.66 13.24 -30.07 1 6 0 80 525.004 7 ↓
Mid Mid (pH 6-8) 4.63 14.22 -24.39 0 6 0 77 525.004 8 ↓
Lo Low (pH 4.5-6) 5.66 13.52 -64.59 2 6 1 81 526.012 7 ↓
Lo Low (pH 4.5-6) 4.63 14.5 -68.43 1 6 1 78 526.012 8 ↓

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