UCSF

ZINC67562935

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 25 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) -0.13 6.18 -161.71 6 7 3 91 343.455 5
Hi High (pH 8-9.5) -0.13 5.37 -46.33 4 7 1 89 341.439 5
Hi High (pH 8-9.5) -0.13 5.05 -11.58 3 7 0 87 340.431 5
Mid Mid (pH 6-8) -0.13 5.71 -95.1 5 7 2 90 342.447 5
Mid Mid (pH 6-8) -0.13 5.85 -92.96 5 7 2 90 342.447 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.