UCSF

ZINC09124562

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 34 Yes

Popular Name: 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(3-hydroxypropyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one 3-(5-chloro-2-hydroxy-4-methylph…

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Download: MOL2 SDF SMILES Flexibase

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) 3.04 3.69 -16.24 3 9 0 117 487.94 8 ↓
Hi High (pH 8-9.5) 3.02 4.4 -50.58 1 9 -1 116 486.932 8 ↓
Hi High (pH 8-9.5) 3.02 4.05 -54.56 1 9 -1 116 486.932 8 ↓
Hi High (pH 8-9.5) 3.04 4.84 -41.67 2 9 -1 120 486.932 8 ↓
Mid Mid (pH 6-8) 3.04 4.45 -52.08 2 9 -1 120 486.932 8 ↓

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