UCSF

ZINC65164220

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 19 Yes

Popular Name: (3aR)-N-benzyl-3a,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (3aR)-N-benzyl-3a,4,6,7-tetrahyd…

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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) 1.85 6.53 -41.94 3 5 1 62 257.317 2 ↓
Mid Mid (pH 6-8) 1.85 6.05 -10.64 2 5 0 61 256.309 2 ↓
Mid Mid (pH 6-8) 1.85 6.07 -12.74 2 5 0 61 256.309 2 ↓

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

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