UCSF

ZINC01604377

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 24 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) 5.45 3.32 -13.66 0 6 0 91 320.304 4
Hi High (pH 8-9.5) 3.10 8.94 -64.94 0 7 -1 93 357.349 3

Vendor Notes

Note Type Comments Provided By
MP 274 TCI
Melting_Point 276-280? Alfa-Aesar
Melting_Point 276-280° Alfa-Aesar

Activity (Go SEA)

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