UCSF

ZINC02125635

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 18 Yes

CAS Numbers: 1463-10-1 , 605-23-2

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) -1.39 -9.42 -13.65 4 8 0 124 258.23 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0334368A2; EP0549686A1; EP0552516A1; EP0552516B1; EP0653436A1; EP0653436B1; EP0673783A2; EP0673783A3; EP0673783B1; EP0743573A3; EP0743573B1; EP0743574A3; EP0743574B1; EP0763049A1; EP0896065A1; EP0983291A1; US5200514; US5514505; US5547857; US5563014; US5 IBM Patent Data

Activity (Go SEA)

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