UCSF

ZINC37213860

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R)-1-(4-chlorophenyl)-1-cyclopropyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]methanamine (1R)-1-(4-chlorophenyl)-1-cyclop…

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) 4.02 7.96 -43.54 2 2 1 20 293.862 6 ↓
Mid Mid (pH 6-8) 4.02 9.26 -34.22 2 2 1 16 293.862 6 ↓
Lo Low (pH 4.5-6) 4.02 10.27 -119.91 3 2 2 21 294.87 6 ↓

Activity (Go SEA)

Rings

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