UCSF

ZINC02511068

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) 2.16 3.47 -13.69 0 5 0 72 209.201 3

Vendor Notes

Note Type Comments Provided By
BP 192-194°/20mm Oakwood Chemical
MP 41-42° Oakwood Chemical

Activity (Go SEA)

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