UCSF

ZINC39268507

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 10 No

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) 2.28 5.59 -5.02 0 2 0 26 140.182 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0326314A2; EP0326315A2; EP0394577A1; US3948960; US4270977; US4308416; US4342858; US4401795; US4824758; US4826891; US4869994; US4877843; US4929537 IBM Patent Data

Activity (Go SEA)

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