UCSF

ZINC01575350

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 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) 1.32 4.01 -8.66 0 3 0 24 190.246 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0171217A2; EP0647449A1; EP0714909A1; EP0815870A3; EP0863881A1; EP0876345A1; EP0975624A1; US3960858; US4716162; US4880933; US4971957; US5290807; US6008230; WO1997010219A1; WO1998046590A1; WO1999021835A1; WO2000063208A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0989986A1; WO1998046605A1; WO2000023444A1 IBM Patent Data

Activity (Go SEA)

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