UCSF

ZINC40332666

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 20 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) 0.66 2.55 -11.77 2 6 0 76 297.38 4
Lo Low (pH 4.5-6) 0.66 2.33 -51.06 3 6 1 77 298.388 4
Lo Low (pH 4.5-6) 0.66 4.48 -100.21 4 6 2 79 299.396 4
Lo Low (pH 4.5-6) 0.66 4.68 -48.39 3 6 1 77 298.388 4

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

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