UCSF

ZINC04369030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 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) 1.74 3.44 -7.05 1 2 0 29 167.595 0
Hi High (pH 8-9.5) 2.69 2.14 -41.92 1 2 -1 39 166.587 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0156603A2; EP0164860A1; EP0175551A1; EP0244918A2; US4556672; US4569942; US4652658; US4658037; US4665194; US4690943; US4721712; US4752609; US4808601 IBM Patent Data

Activity (Go SEA)

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