UCSF

ZINC20123158

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 Yes

Popular Name: (2R)-N-[[(1R)-1-cyclohex-3-enyl]methyl]-2-(2-furyl)-2-pyrrolidin-1-yl-ethanamine (2R)-N-[[(1R)-1-cyclohex-3-enyl]…

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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) 2.82 7.49 -42.56 2 3 1 33 275.416 6 ↓
Mid Mid (pH 6-8) 2.82 9.75 -129.77 3 3 2 34 276.424 6 ↓
Mid Mid (pH 6-8) 2.82 8.43 -32.58 2 3 1 30 275.416 6 ↓

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