UCSF

ZINC11616848

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 18 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) 2.55 0.85 -45.05 2 3 1 37 247.362 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4349678; US4442291 IBM Patent Data

Activity (Go SEA)

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