UCSF

ZINC39301410

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 Yes

Popular Name: [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[1-(4-anilinopyrimidin-2-yl)-4-piperidyl]me [(4aS,8aR)-3,4,4a,5,6,7,8,8a-oct…

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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) 5.39 15.41 -12.87 1 6 0 61 419.573 4 ↓
Lo Low (pH 4.5-6) 5.39 15.77 -37.13 2 6 1 63 420.581 4 ↓

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