UCSF

ZINC55064625

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 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) 1.41 6.02 -180.82 5 4 3 40 299.527 5
Hi High (pH 8-9.5) 1.41 3.44 -32.39 3 4 1 37 297.511 5
Mid Mid (pH 6-8) 1.41 4.16 -105.75 4 4 2 39 298.519 5

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

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