UCSF

ZINC71551743

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 Yes

Popular Name: [(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[(3R,4R)-4-(2-ethyl-4-methyl-1H-imidazol-5-yl)-1-me [(3aR,7aS)-1,3,3a,4,7,7a-hexahyd…

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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) 2.15 10.12 -98.53 3 5 2 55 344.503 3 ↓
Hi High (pH 8-9.5) 2.15 7.05 -10.31 1 5 0 52 342.487 3 ↓
Mid Mid (pH 6-8) 2.15 7.43 -34.7 2 5 1 53 343.495 3 ↓
Mid Mid (pH 6-8) 2.15 9.73 -37.86 2 5 1 53 343.495 3 ↓

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Rings

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

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