UCSF

ZINC12402581

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 14 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) 2.74 4.91 -2.01 1 1 0 20 194.318 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 114?/2.25mm Alfa-Aesar
BP 115 / 3 TCI
Melting_Point 55-56? Alfa-Aesar
MP 60 TCI

Activity (Go SEA)

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