UCSF

ZINC31996510

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 Yes

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

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CAS Number: 169452-21-5

Other Names:

MFCD18378145

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) 0.85 4.54 -32.69 3 2 1 30 195.261 2 ↓
Mid Mid (pH 6-8) 0.85 2.49 -42.77 3 2 1 31 195.261 2 ↓
Lo Low (pH 4.5-6) 0.85 4.84 -112.6 4 2 2 32 196.269 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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