UCSF

ZINC38292586

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2010 12 No

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) 3.41 6.13 -3.51 0 1 0 17 166.264 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0571588A1; EP0571588B1; US5329052; WO1993011094A1 IBM Patent Data

Activity (Go SEA)

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