UCSF

ZINC67975061

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

Popular Name: 3-(4-chlorophenyl)-5-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyri 3-(4-chlorophenyl)-5-[[3-(2-meth…

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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) 2.36 8.39 -38.96 2 6 1 60 372.88 6 ↓
Mid Mid (pH 6-8) 2.36 7.87 -8.67 1 6 0 59 371.872 6 ↓
Mid Mid (pH 6-8) 2.36 9.79 -49.21 2 6 1 60 372.88 6 ↓
Lo Low (pH 4.5-6) 2.36 10.28 -113.99 3 6 2 61 373.888 6 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.