UCSF

ZINC22942118

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 14 Yes

Popular Name: (S)-1-(2-Chlorobenzyl)pyrrolidin-3-aminedihydrochloride (S)-1-(2-Chlorobenzyl)pyrrolidin…

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CAS Numbers: 1286207-91-7 , 347194-15-4

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) 1.37 5.08 -30.43 3 2 1 30 211.716 2 ↓
Mid Mid (pH 6-8) 1.37 2.87 -42.03 3 2 1 31 211.716 2 ↓
Lo Low (pH 4.5-6) 1.37 5.37 -110.3 4 2 2 32 212.724 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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