UCSF

ZINC05241107

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 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) 3.74 1.02 -3.89 0 0 0 0 174.268 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 46-49? Alfa-Aesar
Melting_Point 46-49° Alfa-Aesar

Activity (Go SEA)

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