UCSF

ZINC01319992

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 23 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) 1.43 -8.66 -12.37 4 8 0 119 339.421 5
Lo Low (pH 4.5-6) 1.43 -8.52 -37.61 5 8 1 120 340.429 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0526866A1 IBM Patent Data

Activity (Go SEA)

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