UCSF

ZINC01556247

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 14 Yes

CAS Number: 2113-56-6

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) 3.77 1.76 -5.05 0 1 0 9 184.238 2

Vendor Notes

Note Type Comments Provided By
BP 140 / 5 TCI
PUBCHEM_PATENT_ID EP0351194A2; EP0351194B1; US5089513; US5196422 IBM Patent Data

Activity (Go SEA)

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