UCSF

ZINC12538764

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 24 Yes

Popular Name: 3-(1,3-benzodioxol-5-yl)-1-[(2R)-2-(4-pyridyl)pyrrolidin-1-yl]propan-1-one 3-(1,3-benzodioxol-5-yl)-1-[(2R)…

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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) 2.57 8.42 -13.28 0 5 0 52 324.38 4 ↓
Lo Low (pH 4.5-6) 2.57 8.7 -37.98 1 5 1 53 325.388 4 ↓

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