UCSF

ZINC39376643

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 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) 2.46 9.71 -50.47 0 3 -1 57 245.298 5
Lo Low (pH 4.5-6) 2.46 7.68 -12.11 1 3 0 54 246.306 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4322435 IBM Patent Data

Activity (Go SEA)

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