UCSF

ZINC67727027

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 20 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) -0.22 0.05 -37.56 2 8 -1 116 274.26 2
Mid Mid (pH 6-8) -0.22 0.51 -39.54 3 8 0 117 275.268 2
Mid Mid (pH 6-8) -0.68 2.37 -38.52 4 8 1 114 276.276 2
Mid Mid (pH 6-8) -0.68 1.91 -16.08 3 8 0 113 275.268 2

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

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