UCSF

ZINC38765720

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 17 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) 2.36 5.5 -8.38 1 3 0 36 248.351 4
Lo Low (pH 4.5-6) 2.36 5.89 -23.42 2 3 1 38 249.359 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5002953; US5194443; US5232925; US5260445; US5521201; US5646169 IBM Patent Data

Activity (Go SEA)

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