UCSF

ZINC67965423

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) -0.74 3.1 -48.82 2 7 1 70 346.455 4
Mid Mid (pH 6-8) -0.74 0.82 -13.66 1 7 0 69 345.447 4
Mid Mid (pH 6-8) -0.74 3.01 -54.22 2 7 1 70 346.455 4
Mid Mid (pH 6-8) -0.74 5.28 -107.27 3 7 2 71 347.463 4

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

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