UCSF

ZINC05162373

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 17 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) 3.97 9.29 -7.56 0 1 0 13 219.287 2
Lo Low (pH 4.5-6) 3.97 9.64 -28.54 1 1 1 14 220.295 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 363? Alfa-Aesar
Boiling_Point 363° Alfa-Aesar
Melting_Point 82-84? Alfa-Aesar
Melting_Point 82-84° Alfa-Aesar

Activity (Go SEA)

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