UCSF

ZINC38545438

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.47 0.96 -124.41 5 3 2 53 180.251 1
Hi High (pH 8-9.5) 0.47 -0.34 -41.87 4 3 1 49 179.243 1
Hi High (pH 8-9.5) 0.47 -1.69 -4.05 3 3 0 44 178.235 1
Hi High (pH 8-9.5) 0.47 -0.39 -40.15 4 3 1 49 179.243 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 174-186? Alfa-Aesar
Melting_Point 174-186° Alfa-Aesar

Activity (Go SEA)

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