UCSF

ZINC22129845

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 25 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) 2.76 5.23 -47.9 3 4 1 54 340.443 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0107855A1; US4477457; US4478840; US5783583; US5922705; US6087356 IBM Patent Data

Activity (Go SEA)

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