UCSF

ZINC62533213

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 18 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) -0.47 4.77 -34.75 2 5 0 69 258.362 7
Mid Mid (pH 6-8) -0.47 5.6 -50.28 2 5 0 66 258.362 7
Mid Mid (pH 6-8) -0.47 6.68 -80.96 3 5 1 70 259.37 7

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

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