UCSF

ZINC04557059

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 11 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) -2.20 -3.45 -85.47 5 4 1 84 161.225 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.15e+01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0394122A2 IBM Patent Data

Activity (Go SEA)

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