UCSF

ZINC55153257

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 22 Yes

Popular Name: N'-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(3-pyridyl)propane-1,3-diamine N'-[[(1S,9aR)-2,3,4,6,7,8,9,9a-o…

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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) 2.13 7.87 -110.34 4 4 2 46 304.482 7 ↓
Hi High (pH 8-9.5) 2.13 6.51 -34.59 3 4 1 41 303.474 7 ↓
Hi High (pH 8-9.5) 2.13 5.86 -47.62 3 4 1 45 303.474 7 ↓
Mid Mid (pH 6-8) 2.13 8.33 -165.4 5 4 3 47 305.49 7 ↓

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Rings

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

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