UCSF

ZINC34894472

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 Yes

Popular Name: N-[3-[[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]methyl]-2,5-dimethyl-pyrr N-[3-[[[(1R,9aR)-2,3,4,6,7,8,9,9…

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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) 4.89 13.54 -71.67 4 5 2 48 454.062 6 ↓
Hi High (pH 8-9.5) 5.07 13.66 -40.33 3 5 1 50 453.054 5 ↓
Hi High (pH 8-9.5) 5.07 14.89 -107.29 4 5 2 54 454.062 5 ↓
Mid Mid (pH 6-8) 5.07 14.96 -167.48 5 5 3 56 455.07 5 ↓
Mid Mid (pH 6-8) 5.07 13.73 -72.02 4 5 2 51 454.062 5 ↓

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

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