UCSF

ZINC01734038

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 23 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) 5.15 0.58 -4.69 1 1 0 20 302.417 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0939629A1; EP0973392A1; EP0977745A1; EP0983257A1; EP0983258A1; EP0983267A1; EP0984959A1; US4072756; US6087359; WO1998003166A1; WO1998038859A1; WO1998039313A1; WO1998039315A1; WO1998039316A1; WO1998039326A1; WO1998039329A1; WO2000047198A2; WO2000069819A1 IBM Patent Data

Activity (Go SEA)

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