UCSF

ZINC09243476

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 31 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) 3.22 2.66 -12.88 4 8 0 119 488.338 5
Ref Reference (pH 7) 3.22 2.55 -11.6 4 8 0 119 488.338 5
Hi High (pH 8-9.5) 3.22 3.37 -44.05 3 8 -1 122 487.33 5
Hi High (pH 8-9.5) 2.99 2.36 -61 2 8 -1 118 487.33 5

Activity (Go SEA)

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