UCSF

ZINC13235856

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 14 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) 2.19 7.82 -8.42 0 1 0 13 179.222 0
Lo Low (pH 4.5-6) 2.19 8.1 -30.57 1 1 1 14 180.23 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999002497A2 IBM Patent Data

Activity (Go SEA)

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