UCSF

ZINC26185782

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 27 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) -0.71 5.71 -103.54 3 9 0 128 387.421 4
Hi High (pH 8-9.5) -0.71 5.41 -60.84 2 9 -1 126 386.413 4

Activity (Go SEA)

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