UCSF

ZINC55042497

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 Yes

Popular Name: N-[2-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]ethyl]-2-chloro-benzamide N-[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) 2.89 8.9 -116.97 4 4 2 50 351.922 6 ↓
Hi High (pH 8-9.5) 2.89 6.89 -51.83 3 4 1 49 350.914 6 ↓
Mid Mid (pH 6-8) 2.89 7.53 -41.45 3 4 1 46 350.914 6 ↓

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

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