UCSF

ZINC09046914

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 31 No

Popular Name: 4-(4-chlorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-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) 3.27 8.7 -56.33 0 6 -1 83 433.871 6 ↓
Mid Mid (pH 6-8) 3.72 8.86 -19.18 1 6 0 80 434.879 5 ↓
Lo Low (pH 4.5-6) 3.72 9.17 -47.43 2 6 1 81 435.887 5 ↓

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