UCSF

ZINC20673237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 25 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) 3.25 6.77 -12.59 1 5 0 60 352.415 4
Hi High (pH 8-9.5) 4.21 5.46 -52.61 1 5 -1 70 351.407 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0513387A1; EP0934937A1; US5643932; US5677319; US6080764 IBM Patent Data

Activity (Go SEA)

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