UCSF

ZINC22116629

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 No

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) 2.07 3.95 -21.98 3 5 0 95 374.477 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0208395A1; EP0301966A2; EP0301966B1; US4017605; US4207316; US4466953; US4470962; US4573996; US4828828; US5190936; US5554386; US5859001; US6010716; WO1995034325A1 IBM Patent Data

Activity (Go SEA)

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