UCSF

ZINC39386361

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 23 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) 4.94 12.85 -41.02 2 1 1 17 306.473 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4224344; US4358620 IBM Patent Data

Activity (Go SEA)

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