UCSF

ZINC04217164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 24 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) 3.14 0.19 -10.47 1 3 0 54 328.452 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0338065A1; EP0338065B1; EP0510167B1; EP0569338A1; EP0569338B1; EP0613372A1; EP0613372B1; EP0783310A1; EP0800386A1; EP0800386B1; EP0817621A1; EP0956022A1; US5223492; US5266712; US5665377; WO1994006437A1; WO1999046279A2; WO1999048477A1; WO2000007599A1; WO IBM Patent Data

Activity (Go SEA)

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