UCSF

ZINC04716439

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 14 Yes

Other Names:

MFCD01143308

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) 1.06 4.7 -31.94 2 3 1 39 186.238 3
Lo Low (pH 4.5-6) 1.06 4.98 -81.78 3 3 2 40 187.246 3

Activity (Go SEA)

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