UCSF

ZINC37713944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 14 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) -0.17 1.92 -37.2 3 5 1 72 201.246 5
Hi High (pH 8-9.5) 0.02 -0.27 -33.66 2 5 0 78 200.238 5

Activity (Go SEA)

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