UCSF

ZINC38997121

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 16 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) 2.88 6.35 -7.52 1 2 0 29 209.248 1
Hi High (pH 8-9.5) 3.84 5.05 -45.15 1 2 -1 39 208.24 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0156603A2; EP0164860A1; EP0175551A1; EP0244918A2; US4556672; US4569942; US4652658; US4658037; US4665194; US4690943; US4721712; US4752609; US4808601; US6051593; US6114371; US6130238; WO1998050356A1; WO1999048868A2; WO1999061422A1; WO2000008202A2; WO20000 IBM Patent Data

Activity (Go SEA)

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