UCSF

ZINC51481692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 19 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) 2.76 8.77 -41.58 2 3 1 33 276.791 5
Hi High (pH 8-9.5) 2.76 7.33 -4.32 1 3 0 28 275.783 5
Mid Mid (pH 6-8) 2.76 9.11 -103.44 3 3 2 34 277.799 5

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

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