UCSF

ZINC04240553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 Yes

Other Names:

MFCD08444044

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) 0.17 0.55 -54.45 4 3 1 61 189.238 2
Lo Low (pH 4.5-6) 0.17 0.83 -97.72 5 3 2 62 190.246 2

Vendor Notes

Note Type Comments Provided By
MP >220°(dec.) Oakwood Chemical

Activity (Go SEA)

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