UCSF

ZINC03831152

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 21 Yes

Popular Name: 332 332

Find On: PubMed — Wikipedia — Google

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) 1.10 -2.83 -49.33 3 4 1 54 286.351 0 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.712 Bitter DB
PUBCHEM_PATENT_ID EP0799231A1; EP0799231B1; EP0815088A1; EP0815107A1; EP0835253A1; EP0861251A1; EP0866790A1; EP0880528A1; EP0880529A1; EP0906315A1; EP0912579A1; EP0929554A1; EP0977758A1; EP0989987A1; EP0991622A1; EP0994867A1; EP1019410A1; EP1028957A1; EP1059923A1; US572869 IBM Patent Data

Activity (Go SEA)

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