UCSF

ZINC39376204

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 24 No

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) 1.01 3.37 -15.36 2 8 0 108 358.416 7
Lo Low (pH 4.5-6) 1.01 4.23 -55.9 3 8 1 110 359.424 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4560750 IBM Patent Data

Activity (Go SEA)

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