UCSF

ZINC09046842

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 33 No

Popular Name: 4-(4-chlorobenzoyl)-3-hydroxy-5-(3-propoxyphenyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-chlorobenzoyl)-3-hydroxy-5-…

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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) 4.13 10.52 -53.97 0 6 -1 83 461.925 8 ↓
Mid Mid (pH 6-8) 3.55 11.56 -11.72 0 6 0 77 462.933 8 ↓
Mid Mid (pH 6-8) 4.58 11.3 -17.11 1 6 0 80 462.933 7 ↓
Lo Low (pH 4.5-6) 4.58 11.58 -51.08 2 6 1 81 463.941 7 ↓
Lo Low (pH 4.5-6) 3.55 11.84 -44.21 1 6 1 78 463.941 8 ↓

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