UCSF

ZINC11592556

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2008 22 Yes

CAS Numbers: 100992-60-7 , 58970-76-6

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) -1.13 -4.15 -75.97 5 6 0 117 308.378 8

Vendor Notes

Note Type Comments Provided By
Notes Diastereoepimer of aminopeptidase inhibitor bestatin Apollo Scientific Bioactives
PUBCHEM_PATENT_ID US4189604; US4240975 IBM Patent Data

Activity (Go SEA)

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