UCSF

ZINC39332277

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 25 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) 4.84 11.97 -41.66 2 3 1 29 335.471 4
Hi High (pH 8-9.5) 4.84 9.56 -6.72 1 3 0 28 334.463 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3959309; US4062864; US4172834; US4257952 IBM Patent Data

Activity (Go SEA)

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