UCSF

ZINC14516996

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 13 Yes

CAS Number: 22014-99-9

Other Names:

MFCD00234806

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) 3.67 8.7 -4.78 0 1 0 5 173.259 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0676398A2; EP0676398A3; EP1022274A1; US5624935; US5739345; US5834501; US5977365; US6117893 IBM Patent Data
PUBCHEM_PATENT_ID WO1993007128A1 IBM Patent Data

Activity (Go SEA)

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