UCSF

ZINC49259872

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 19 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 3.39 -28.97 3 5 1 56 265.381 5
Hi High (pH 8-9.5) 1.41 2.93 -5.96 2 5 0 55 264.373 5
Mid Mid (pH 6-8) 1.41 5.67 -82.46 4 5 2 57 266.389 5

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

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