UCSF

ZINC65491646

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 Yes

Popular Name: (3aR,6aR)-5-(cyclopropanecarbonyl)-2-[[(4R)-2-methyl-4H-imidazol-4-yl]methyl]-3,3a,4,6-tetrahydro-1H (3aR,6aR)-5-(cyclopropanecarbony…

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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) -0.31 7.32 -61.5 2 7 0 94 318.377 4 ↓
Hi High (pH 8-9.5) -0.31 5.2 -73.64 2 7 0 94 318.377 4 ↓
Hi High (pH 8-9.5) -0.31 4.79 -59.28 1 7 -1 92 317.369 4 ↓
Mid Mid (pH 6-8) -0.31 7.73 -120.16 3 7 1 95 319.385 4 ↓

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

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