UCSF

ZINC67974180

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 27 Yes

Popular Name: 4-[[(4R)-4-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]quinoline 4-[[(4R)-4-benzyl-1,4,6,7-tetrah…

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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) 3.87 10.81 -42.19 2 4 1 46 355.465 4 ↓
Hi High (pH 8-9.5) 3.87 10.36 -9.85 1 4 0 45 354.457 4 ↓
Lo Low (pH 4.5-6) 3.87 11.24 -80.22 3 4 2 47 356.473 4 ↓

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

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