UCSF

ZINC20213453

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 0.44 1.73 -75.56 3 7 0 107 289.357 8
Hi High (pH 8-9.5) 0.44 1.32 -86.54 2 7 -1 109 288.349 8
Hi High (pH 8-9.5) 0.44 -0.5 -52.21 2 7 -1 105 288.349 8

Activity (Go SEA)

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