UCSF

ZINC53631700

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 35 Yes

Popular Name: (3R,8aR)-6-[(2-butyl-1H-imidazol-5-yl)methyl]-1-propyl-3-(4-pyrazol-1-ylphenyl)-5,7,8,8a-tetrahydro- (3R,8aR)-6-[(2-butyl-1H-imidazol…

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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) 4.15 12.78 -44.4 2 7 1 71 473.645 9 ↓
Hi High (pH 8-9.5) 4.15 12.33 -18.33 1 7 0 70 472.637 9 ↓
Mid Mid (pH 6-8) 4.15 14.61 -64.03 2 7 1 71 473.645 9 ↓
Lo Low (pH 4.5-6) 4.15 15.05 -131.72 3 7 2 72 474.653 9 ↓

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

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