UCSF

ZINC20346155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 14 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) 2.20 4.7 -18.89 1 3 0 46 208.286 2
Ref Reference (pH 7) 2.20 5.13 -10.59 1 3 0 46 208.286 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4159377 IBM Patent Data

Activity (Go SEA)

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