UCSF

ZINC71789140

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2012 33 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) 6.07 9.07 -5.23 3 3 0 61 454.695 7

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.82e-03 g/l DrugBank-experimental
PUBCHEM_PATENT_ID WO2000061112A2; WO2000064450A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.