UCSF

ZINC39337603

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 16 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) 2.50 3.09 -40.72 2 4 -1 81 251.283 11
Hi High (pH 8-9.5) 2.50 4.2 -125.78 1 4 -2 83 250.275 11

Vendor Notes

Note Type Comments Provided By
Melting_Point 110-112? Alfa-Aesar
Melting_Point 110-112° Alfa-Aesar

Activity (Go SEA)

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