UCSF

ZINC05157121

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 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) -1.46 -10.47 -9.39 4 5 0 90 164.157 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0313512A2; EP0313512B1; EP0347377A2; US4243653; US4931581; US5190928; US5523311 IBM Patent Data
PUBCHEM_PATENT_ID US5272152 IBM Patent Data

Activity (Go SEA)

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