UCSF

ZINC39259358

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 11 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) 3.63 4.41 -3.57 1 1 0 20 170.639 2
Hi High (pH 8-9.5) 3.63 5.17 -41.05 0 1 -1 23 169.631 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0565401B1; EP0579383B1; EP0984770A1; EP0986363A2; EP0986371A1; EP0996419A1; EP0996421A1; EP1014937A1; EP1047394A1; US4894220; US5032386; US5037635; US5080887; US5178851; US5192530; US5192531; US5236696; US5288480; US5320832; US5538715; US5575652; US5599 IBM Patent Data

Activity (Go SEA)

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