UCSF

ZINC34360179

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 19 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) 3.57 10.09 -53.74 0 3 -1 53 260.357 6
Lo Low (pH 4.5-6) 3.57 10.56 -57.78 1 3 0 54 261.365 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4786646; US4788206; US4916145; US4927826; US4927838; US4975438 IBM Patent Data

Activity (Go SEA)

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