UCSF

ZINC00315289

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 15 Yes

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) 2.58 1.66 -47.93 0 3 -1 49 207.249 5

Vendor Notes

Note Type Comments Provided By
BP 173°/1mm Oakwood Chemical
MP 98-99° Oakwood Chemical
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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