UCSF

ZINC06096110

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 22 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) 5.87 1.76 -9.12 0 1 0 17 351.243 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 155-158? Alfa-Aesar
Melting_Point 155-158° Alfa-Aesar

Activity (Go SEA)

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