UCSF

ZINC04261891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 32 Yes

Other Names:

MFCD00079305

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) -2.37 2.38 -135.14 5 13 -2 219 439.388 9
Hi High (pH 8-9.5) -1.91 1.26 -171.66 4 13 -3 222 438.38 9
Lo Low (pH 4.5-6) -2.37 1.26 -81.48 6 13 -1 216 440.396 9

Vendor Notes

Note Type Comments Provided By
Mp [°C] 250 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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