UCSF

ZINC34624452

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 17 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) 1.62 8.53 -40.68 1 4 1 55 237.323 6
Mid Mid (pH 6-8) 1.62 6.37 -9.79 0 4 0 53 236.315 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0405834A3; US4968678 IBM Patent Data

Activity (Go SEA)

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