UCSF

ZINC65491812

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 18 Yes

Popular Name: (3aR,4R)-4-(benzyloxymethyl)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridine (3aR,4R)-4-(benzyloxymethyl)-4,5…

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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) 1.77 5.05 -36.46 3 4 1 51 244.318 4 ↓
Hi High (pH 8-9.5) 1.77 4.59 -8.77 2 4 0 50 243.31 4 ↓
Lo Low (pH 4.5-6) 1.77 5.99 -46.53 3 4 1 55 244.318 4 ↓

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

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