UCSF

ZINC09243211

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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 5.45 -16.59 2 9 0 106 453.495 9 ↓
Hi High (pH 8-9.5) 2.61 5.81 -64.09 0 9 -1 105 452.487 9 ↓
Hi High (pH 8-9.5) 2.61 6.03 -49.69 0 9 -1 105 452.487 9 ↓
Hi High (pH 8-9.5) 2.63 6.47 -46.2 1 9 -1 109 452.487 9 ↓
Mid Mid (pH 6-8) 2.63 6.21 -56.25 1 9 -1 109 452.487 9 ↓

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