UCSF

ZINC65528445

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 21 Yes

Popular Name: 1-[2-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]ethyl]piperidin-4-ol 1-[2-[[(1S,9aR)-2,3,4,6,7,8,9,9a…

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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) 0.50 6.73 -204.74 5 4 3 46 298.495 5 ↓
Hi High (pH 8-9.5) 0.50 3.34 -31.66 3 4 1 40 296.479 5 ↓
Hi High (pH 8-9.5) 0.50 2.52 -43.03 3 4 1 43 296.479 5 ↓
Mid Mid (pH 6-8) 0.50 5.55 -82.68 4 4 2 41 297.487 5 ↓
Mid Mid (pH 6-8) 0.50 4.52 -105.31 4 4 2 45 297.487 5 ↓

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

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