UCSF

ZINC25444765

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 No

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) 1.03 5.52 -23.17 2 9 0 130 347.356 6
Hi High (pH 8-9.5) 0.85 4.45 -45.7 1 9 -1 136 346.348 6

Activity (Go SEA)

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