UCSF

ZINC62962804

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) -0.71 1.34 -122.71 4 5 2 69 289.445 2
Hi High (pH 8-9.5) -0.71 0.54 -41.08 3 5 1 68 288.437 2
Hi High (pH 8-9.5) -0.71 -0.21 -62.38 3 5 1 68 288.437 2
Hi High (pH 8-9.5) -0.71 -0.59 -10.49 2 5 0 67 287.429 2

Activity (Go SEA)

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

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