UCSF

ZINC36215317

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 Yes

Popular Name: [2-(dimethylamino)-3-pyridyl]-[(3S,5R)-4-(2-methoxyethyl)-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) 0.60 5.04 -10.29 0 6 0 49 320.437 5 ↓
Lo Low (pH 4.5-6) 0.60 7.54 -86.97 2 6 2 51 322.453 5 ↓
Lo Low (pH 4.5-6) 0.60 5.5 -37.41 1 6 1 50 321.445 5 ↓

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

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