UCSF

ZINC02166907

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 15 No

CAS Number: 1081-77-2

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) 6.33 11.39 -1.54 0 0 0 0 204.357 8

Vendor Notes

Note Type Comments Provided By
Boiling_Point 281-283? Alfa-Aesar
Boiling_Point 281-283° Alfa-Aesar
PUBCHEM_PATENT_ID US5756443 IBM Patent Data

Activity (Go SEA)

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