UCSF

ZINC55089388

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 23 Yes

Popular Name: 2-[2-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]ethylamino]-4-methyl-1H-py 2-[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) 1.63 7.97 -124.45 5 6 2 79 321.469 6 ↓
Hi High (pH 8-9.5) 1.63 5.96 -58.95 4 6 1 78 320.461 6 ↓
Hi High (pH 8-9.5) 1.63 6.61 -42.65 4 6 1 74 320.461 6 ↓

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

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