UCSF

ZINC05918556

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 11 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) 1.21 1.96 -9.71 1 3 0 38 151.165 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0006693A1; EP0136703A2; EP0147379A1; EP0169521A2; EP0247381A2; EP0247381B1; EP0274271A1; EP0323441A2; EP0323441B1; EP0423796B1; EP0436902A1; EP0436902B1; EP0518238A1; EP0737722A2; EP0737722A3; EP0792880A1; EP0903350A1; EP0934940A1; US4022833; US4085144 IBM Patent Data

Activity (Go SEA)

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