UCSF

ZINC56668388

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2011 22 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) -1.82 6.38 -48.9 3 4 1 40 334.387 5
Hi High (pH 8-9.5) 2.40 5.97 -46.85 2 4 0 40 333.379 5
Mid Mid (pH 6-8) -1.82 4.09 -13.22 2 4 0 38 333.379 5
Mid Mid (pH 6-8) 2.40 3.66 -41.7 1 4 -1 39 332.371 5

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

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