UCSF

ZINC62314769

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 24 Yes

Popular Name: [2-(dimethylamino)-3-pyridyl]-[(3S,5R)-4-(3-methoxypropyl)-3,5-dimethyl-piperazin-1-yl]methanone [2-(dimethylamino)-3-pyridyl]-[(…

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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) 0.87 5.38 -11.46 0 6 0 49 334.464 6 ↓
Mid Mid (pH 6-8) 0.87 7.27 -45.52 1 6 1 50 335.472 6 ↓
Lo Low (pH 4.5-6) 0.87 7.77 -89.39 2 6 2 51 336.48 6 ↓

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

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