UCSF

ZINC34449228

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 22 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) 3.45 6.64 -9.2 0 5 0 54 302.326 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0238973A2; EP0238973B1; US4886834; US4954523; US4978767; US5034418; US5064848; US5103010; US5182301; US5206403 IBM Patent Data

Activity (Go SEA)

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