UCSF

ZINC37242440

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 Yes

Popular Name: (3R)-1-cycloheptyl-N-methyl-pyrrolidin-3-amine (3R)-1-cycloheptyl-N-methyl-pyrr…

Find On: PubMed — Wikipedia — Google

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) 2.66 5.17 -31.24 2 2 1 16 197.346 2 ↓
Hi High (pH 8-9.5) 2.66 2.73 -0.99 1 2 0 15 196.338 2 ↓
Lo Low (pH 4.5-6) 2.66 4.02 -36.07 2 2 1 20 197.346 2 ↓
Lo Low (pH 4.5-6) 2.66 6.47 -107.92 3 2 2 21 198.354 2 ↓

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