UCSF

ZINC15919781

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 28 No

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) 1.20 -6.05 -13 6 8 0 140 390.388 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000012534A2; WO2000037021A2; WO2000038620A2; WO2000044921A1 IBM Patent Data

Activity (Go SEA)

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