UCSF

ZINC37241741

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 Yes

Popular Name: (3S)-1-cyclohexyl-N-methyl-pyrrolidin-3-amine (3S)-1-cyclohexyl-N-methyl-pyrro…

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Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.15 4.72 -30.46 2 2 1 16 183.319 2 ↓
Hi High (pH 8-9.5) 2.15 2.41 -0.78 1 2 0 15 182.311 2 ↓
Lo Low (pH 4.5-6) 2.15 3.68 -36.72 2 2 1 20 183.319 2 ↓
Lo Low (pH 4.5-6) 2.15 5.99 -105.62 3 2 2 21 184.327 2 ↓

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