UCSF

ZINC34404396

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 26 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) 2.73 9.06 -9.69 1 4 0 45 367.518 4
Lo Low (pH 4.5-6) 2.73 9.52 -38.47 2 4 1 46 368.526 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4987132 IBM Patent Data

Activity (Go SEA)

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