UCSF

ZINC38585727

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.30 1.56 -39.62 4 8 1 105 301.33 6
Hi High (pH 8-9.5) 0.30 -0.91 -110.55 1 8 -2 107 298.306 6
Hi High (pH 8-9.5) 0.30 0.06 -49.46 2 8 -1 105 299.314 6
Mid Mid (pH 6-8) 0.30 0.78 -27.37 3 8 0 107 300.322 6
Mid Mid (pH 6-8) 0.30 0.79 -12.81 3 8 0 103 300.322 6
Lo Low (pH 4.5-6) 0.30 1.06 -36.64 4 8 1 105 301.33 4

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

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