UCSF

ZINC15084813

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 27 Yes

Popular Name: (4R)-1-(1H-benzimidazol-2-yl)-4-(4-hydroxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[4,5-e]pyridin-6-o (4R)-1-(1H-benzimidazol-2-yl)-4-…

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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) 2.57 8.11 -12.59 3 7 0 96 359.389 2 ↓
Lo Low (pH 4.5-6) 2.74 7.89 -39.47 4 7 1 100 360.397 2 ↓

Activity (Go SEA)

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