UCSF

ZINC03649999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 17 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) 2.33 5.09 -40.84 3 3 1 40 231.319 1
Hi High (pH 8-9.5) 2.33 2.47 -6.56 2 3 0 39 230.311 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0705600A1; EP0708102A1; EP0714894A1; EP0733628A1; EP0733628B1; EP0733628B9; EP0749962A1; EP0749962B1; EP0768301A1; EP0832650A3; EP0835869A2; EP0835869A3; EP0842934A1; EP0916670A2; EP0929299A1; EP0994109A3; US3959309; US4062864; US4172834; US4224335; US4 IBM Patent Data

Activity (Go SEA)

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