UCSF

ZINC43103141

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 25 Yes

Popular Name: 5-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-N,N-dimethyl-thiazol-2- 5-[[3-(3-fluorophenyl)-1,4,6,7-t…

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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) 2.94 7.08 -11.79 1 5 0 48 357.458 4 ↓
Mid Mid (pH 6-8) 2.94 9.28 -46.94 2 5 1 49 358.466 4 ↓
Lo Low (pH 4.5-6) 2.94 7.49 -36.73 2 5 1 49 358.466 4 ↓

Activity (Go SEA)

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