UCSF

ZINC65164053

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 22 Yes

Popular Name: [(3aR)-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(diethylamino)phenyl]methanone [(3aR)-3a,4,6,7-tetrahydroimidaz…

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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) 1.66 8.8 -42.36 2 5 1 53 299.398 4 ↓
Mid Mid (pH 6-8) 1.66 8.33 -11.69 1 5 0 52 298.39 4 ↓
Lo Low (pH 4.5-6) 1.66 8.86 -70.45 3 5 0 55 300.406 4 ↓

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

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