UCSF

ZINC38528912

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 18 Yes

Popular Name: Boc-trans-4-cyano-L-proline methyl ester Boc-trans-4-cyano-L-proline meth…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 194163-91-2 , 487048-28-2 , [194163-91-2]

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) 2.41 5.96 -17.1 0 6 0 80 254.286 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5821261; WO2000001714A1 IBM Patent Data

Activity (Go SEA)

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