UCSF

ZINC39389911

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 14 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) 3.41 8.03 -44.82 0 2 -1 40 191.25 4
Lo Low (pH 4.5-6) 3.41 6.16 -5.36 1 2 0 37 192.258 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4963582; US5405867 IBM Patent Data

Activity (Go SEA)

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