UCSF

ZINC28714556

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 9 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) -0.33 -1.02 -5.56 1 3 0 39 132.159 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0014815A2; EP0056956A2; EP0212558A2; EP0212558B1; EP0264889A2; EP0264889B1; EP0296597A2; EP0296597B1; EP0330511B1; EP0351832A2; EP0351832B1; EP0376310A2; EP0376310B1; EP0429059A3; EP0601191A1; EP0601191B1; EP0632028A1; EP0660824A1; US3083141; US3948955 IBM Patent Data

Activity (Go SEA)

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