UCSF

ZINC20779815

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 26 Yes

Popular Name: 3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)-4-piperidyl]methyl]amino]-2,2-dimethyl-p 3-[[(2R)-1-ethylpyrrolidin-2-yl]…

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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) 2.45 7.6 -91.56 3 5 2 42 371.61 11 ↓
Hi High (pH 8-9.5) 2.45 6.04 -34.12 2 5 1 40 370.602 11 ↓
Hi High (pH 8-9.5) 2.45 5.2 -33 2 5 1 40 370.602 11 ↓
Mid Mid (pH 6-8) 2.45 8.2 -90 3 5 2 42 371.61 11 ↓
Mid Mid (pH 6-8) 2.45 9.47 -195.74 4 5 3 43 372.618 11 ↓

Activity (Go SEA)

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