UCSF

ZINC08845379

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 30 Yes

Popular Name: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxyphenyl)-5-(2-hydroxyethyl)-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) 3.57 4.48 -13.75 3 7 0 99 427.888 6 ↓
Hi High (pH 8-9.5) 3.55 5.07 -45 1 7 -1 98 426.88 6 ↓
Hi High (pH 8-9.5) 3.55 4.86 -55.64 1 7 -1 98 426.88 6 ↓
Hi High (pH 8-9.5) 3.57 5.63 -40.31 2 7 -1 102 426.88 6 ↓
Mid Mid (pH 6-8) 3.57 5.25 -51.1 2 7 -1 102 426.88 6 ↓

Activity (Go SEA)

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