UCSF

ZINC37712979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 16 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) 2.68 3.82 -45.27 4 2 1 40 273.834 5
Hi High (pH 8-9.5) 2.68 3.44 -3.72 3 2 0 38 272.826 5

Activity (Go SEA)

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