UCSF

ZINC53631638

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 36 Yes

Popular Name: (3R,8aR)-6-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(E)-cinnamyl]-3-(4-pyridyl)-5,7,8,8a-tetrahydro-3H- (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) 4.61 13.4 -45.95 2 6 1 66 482.652 9 ↓
Hi High (pH 8-9.5) 4.61 12.69 -15.17 1 6 0 65 481.644 9 ↓
Mid Mid (pH 6-8) 4.61 15.68 -139.46 3 6 2 68 483.66 9 ↓
Mid Mid (pH 6-8) 4.61 15.23 -66.67 2 6 1 66 482.652 9 ↓

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

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