UCSF

ZINC39332164

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 24 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) 4.46 11.2 -40.49 2 3 1 29 321.444 4
Hi High (pH 8-9.5) 4.46 8.8 -7.94 1 3 0 28 320.436 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0705600A1; EP0708102A1; EP0714894A1; EP0733628A1; EP0733628B1; EP0733628B9; EP0749962A1; EP0749962B1; EP0768301A1; EP0832650A3; EP0994109A3; US3959309; US4062864; US4172834; US4224335; US4257952; US5521196; US5521197; US5698571; US5708008; US5708187; US IBM Patent Data

Activity (Go SEA)

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