UCSF

ZINC49330160

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 17 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) -0.34 3.05 -72.69 2 5 1 69 258.367 4
Hi High (pH 8-9.5) -0.34 1.85 -16.76 1 5 0 64 257.359 4
Mid Mid (pH 6-8) -0.34 3.52 -124.64 3 5 2 70 259.375 4

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

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