UCSF

ZINC49547277

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 23 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) -0.71 2.59 -24.92 3 9 0 122 314.305 3
Ref Reference (pH 7) -0.72 4.58 -37.54 3 9 0 121 314.305 3
Mid Mid (pH 6-8) -0.71 3.38 -65.52 2 9 -1 124 313.297 3
Mid Mid (pH 6-8) -0.72 4.58 -54.92 3 9 0 121 314.305 3

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

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