UCSF

ZINC02583737

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 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) 2.25 1.8 -45 0 6 -1 95 210.165 4
Hi High (pH 8-9.5) 0.91 3.01 -93.66 8 8 2 133 442.47 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 146-151? Alfa-Aesar
Melting_Point 146-151° Alfa-Aesar

Activity (Go SEA)

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