UCSF

ZINC39374716

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 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) 2.45 6.06 -3.24 0 1 0 13 149.237 3
Lo Low (pH 4.5-6) 2.45 6.53 -30.73 1 1 1 14 150.245 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0532693A1; US5294720; US5430155; WO1991018866A2 IBM Patent Data

Activity (Go SEA)

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