UCSF

ZINC37228630

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 Yes

Popular Name: 1-(2-pyridyl)-N-(2-pyrrolidin-1-ylethyl)piperidin-4-amine 1-(2-pyridyl)-N-(2-pyrrolidin-1-…

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Download: MOL2 SDF SMILES Flexibase

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) 1.75 6.51 -88 3 4 2 37 276.428 5 ↓
Hi High (pH 8-9.5) 1.75 7.44 -36.8 2 4 1 33 275.42 5 ↓
Mid Mid (pH 6-8) 1.75 7.77 -71.79 3 4 2 34 276.428 5 ↓
Mid Mid (pH 6-8) 1.75 8.95 -178.14 4 4 3 38 277.436 5 ↓
Mid Mid (pH 6-8) 1.75 6.18 -42.4 2 4 1 36 275.42 5 ↓
Mid Mid (pH 6-8) 1.75 8.62 -120.21 3 4 2 37 276.428 5 ↓

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