UCSF

ZINC71514681

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 21 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) 4.78 7.68 -16.61 1 3 0 46 340.832 3
Mid Mid (pH 6-8) 5.24 6.24 -52.76 0 3 -1 49 339.824 3

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

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