UCSF

ZINC01706155

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 10 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) 2.80 -0.28 -2.88 2 1 0 26 180.009 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3976643; US4088785; US4220658; US4488993 IBM Patent Data

Activity (Go SEA)

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