UCSF

ZINC53631697

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 27 Yes

Popular Name: (3R,8aS)-3-(4-fluoro-3-methyl-phenyl)-1-methyl-6-[(2-methyl-1H-imidazol-5-yl)methyl]-5,7,8,8a-tetrah (3R,8aS)-3-(4-fluoro-3-methyl-ph…

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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) 2.45 7.77 -41.53 2 5 1 53 369.464 3 ↓
Mid Mid (pH 6-8) 2.45 9.47 -58.49 2 5 1 53 369.464 3 ↓
Mid Mid (pH 6-8) 2.45 9.94 -123.18 3 5 2 55 370.472 3 ↓
Mid Mid (pH 6-8) 2.45 7.32 -12.26 1 5 0 52 368.456 3 ↓

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

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