UCSF

ZINC09243212

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 33 Yes

Popular Name: 3-(2-hydroxyphenyl)-5-(3-methoxypropyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one 3-(2-hydroxyphenyl)-5-(3-methoxy…

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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) 2.63 5.07 -17.82 2 9 0 106 453.495 9 ↓
Hi High (pH 8-9.5) 2.61 5.83 -53.21 0 9 -1 105 452.487 9 ↓
Hi High (pH 8-9.5) 2.61 5.78 -64.31 0 9 -1 105 452.487 9 ↓
Hi High (pH 8-9.5) 2.63 6.14 -43.71 1 9 -1 109 452.487 9 ↓
Mid Mid (pH 6-8) 2.63 5.84 -55.55 1 9 -1 109 452.487 9 ↓

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