UCSF

ZINC38220243

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 10 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) 0.83 1.89 -7.43 1 3 0 47 146.186 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0024829A1; EP0060176A1; EP0093765A1; EP0110747A2; EP0144396A1; EP0172041A1; EP0181163A2; EP0189307A2; EP0322242A2; EP0322242B1; EP0372954A1; EP0372954B1; EP0407032B1; EP0710662A1; EP0751133A1; EP0975602A1; EP1018513A2; US3957851; US4014920; US4022791; U IBM Patent Data

Activity (Go SEA)

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