UCSF

ZINC00392262

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 18 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) 2.72 1.13 -53.26 0 3 -1 49 241.266 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 96-98? Alfa-Aesar
Melting_Point 96-98° Alfa-Aesar

Activity (Go SEA)

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