UCSF

ZINC00159451

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 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) 3.06 1.92 -6.07 0 1 0 17 168.261 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 114-116?/14mm Alfa-Aesar
Boiling_Point 114-116°/14mm Alfa-Aesar

Activity (Go SEA)

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