UCSF

ZINC00405217

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 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) 2.34 5.36 -9.83 1 2 0 29 177.247 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0676398A2; EP0676398A3; EP0714897A1; EP0745600A1; EP1022274A1; EP1049691A1; US3982931; US5624935; US5714479; US5739345; US5834501; US5886014; US5977365; US6117893; WO1998012177A1; WO1999037639A1 IBM Patent Data

Activity (Go SEA)

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