UCSF

ZINC22005601

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 7 Yes

Popular Name: (S)-Pyrrolidine-2-carbonitrile hydrochloride (S)-Pyrrolidine-2-carbonitrile h…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1199773-80-2 , 204387-53-1 , 5626-49-3 , 65732-69-6 , 675602-84-3 , 739363-75-8 , [1199773-80-2] , [5626-49-3] , [65732-69-6]

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) 0.27 0.7 -6.15 1 2 0 36 96.133 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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