UCSF

ZINC02035159

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 12 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) 0.12 4.39 -35.38 2 3 0 57 171.24 3

Vendor Notes

Note Type Comments Provided By
MP >260o C Indofine
PUBCHEM_PATENT_ID US5348944 IBM Patent Data

Activity (Go SEA)

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