UCSF

ZINC04301186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 15 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) -3.08 -9.92 -14.31 5 7 0 119 221.209 2

Vendor Notes

Note Type Comments Provided By
MP 158-162 °C Indofine
PUBCHEM_PATENT_ID EP0044188A2; EP0128097A1; EP0340780A2; EP0439585B1; EP0511317A1; EP0511317B1; EP0528624A1; US4767845; US4794176; US4801578; US4855126; US4866041; US5196478; US6143443; US6159485; WO1991002768A1; WO1996035239A1; WO2000017226A1; WO2000040217A1 IBM Patent Data

Activity (Go SEA)

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