UCSF

ZINC12359941

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 31 No

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) 8.54 4.52 -2.14 0 2 0 26 449.119 7

Vendor Notes

Note Type Comments Provided By
Melting_Point 116-120? Alfa-Aesar
Melting_Point 116-120° Alfa-Aesar

Activity (Go SEA)

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