UCSF

ZINC01689278

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 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) 3.96 3.02 -6.9 0 3 0 43 234.295 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0180188A2; EP0180188B1; EP0180897A2; EP0180897B1; EP0323441A2; EP0323441B1; EP0436902A1; EP0436902B1; US4864021; US4983609; US5155113 IBM Patent Data

Activity (Go SEA)

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