UCSF

ZINC56688135

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 19 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) 3.14 5.14 -46.83 0 3 -1 39 289.405 3
Lo Low (pH 4.5-6) 3.14 5.92 -71.75 1 3 0 40 290.413 3
Lo Low (pH 4.5-6) 2.68 7.1 -8.46 1 3 0 36 290.413 3

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

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