UCSF

ZINC55053685

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 Yes

Popular Name: 2-[4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperazin-1-yl]pyridine-3-carbo 2-[4-[[(1S,9aR)-2,3,4,6,7,8,9,9a…

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Download: MOL2 SDF SMILES Flexibase

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) 2.44 11.91 -101.15 2 5 2 49 341.503 3 ↓
Hi High (pH 8-9.5) 2.44 8.02 -6.71 0 5 0 46 339.487 3 ↓
Mid Mid (pH 6-8) 2.44 9.9 -37.31 1 5 1 48 340.495 3 ↓
Mid Mid (pH 6-8) 2.44 10.04 -36.11 1 5 1 48 340.495 3 ↓

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Rings

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

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