UCSF

ZINC40448639

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 10 Yes

Popular Name: (2S,4R)-4-Cyanopyrrolidine-2-carboxylic acid (2S,4R)-4-Cyanopyrrolidine-2-car…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1001354-49-9 , 273221-93-5

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) -0.94 1.3 -40.19 1 4 -1 76 139.134 1 ↓
Mid Mid (pH 6-8) -0.94 2.7 -40.76 2 4 0 81 140.142 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5348944 IBM Patent Data

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Rings

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