UCSF

ZINC20053014

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 18 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) 2.02 3.44 -12.2 3 3 0 55 260.362 6
Lo Low (pH 4.5-6) 2.02 4.85 -58.49 4 3 1 60 261.37 6

Activity (Go SEA)

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