UCSF

ZINC05934022

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 28 Yes

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) 2.29 5.41 -52.47 3 6 -1 110 389.468 11
Lo Low (pH 4.5-6) 2.29 3.44 -13.18 4 6 0 107 390.476 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4105792; US4159343; US4256745 IBM Patent Data

Activity (Go SEA)

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