UCSF

ZINC09463463

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 No

Popular Name: 3-hydroxy-1-(3-methoxypropyl)-4-[4-(m-tolylmethoxy)benzoyl]-5-(3-nitrophenyl)-5H-pyrrol-2-one 3-hydroxy-1-(3-methoxypropyl)-4-…

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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) 4.64 13.04 -55.53 0 9 -1 125 515.542 11 ↓
Mid Mid (pH 6-8) 5.09 11.99 -30.13 1 9 0 122 516.55 10 ↓
Mid Mid (pH 6-8) 4.06 13 -23.23 0 9 0 119 516.55 11 ↓

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