UCSF

ZINC40287422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 22 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) -0.63 3.05 -44.98 3 7 1 83 305.358 5
Hi High (pH 8-9.5) -0.63 0.57 -11.14 2 7 0 82 304.35 5
Hi High (pH 8-9.5) -0.44 1.75 -71.31 2 7 0 89 304.35 5
Hi High (pH 8-9.5) -0.44 1.76 -55.4 2 7 0 89 304.35 5
Hi High (pH 8-9.5) -0.63 0.57 -11.2 2 7 0 82 304.35 5

Activity (Go SEA)

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