UCSF

ZINC49015061

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 18 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) 0.00 -2.64 -16.46 4 7 0 111 253.258 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0882734A2; EP1057831A2; US6005098; US6114520; WO1999040099A1 IBM Patent Data

Activity (Go SEA)

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