UCSF

ZINC21984044

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 11 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) -0.62 2.78 -53.56 3 5 1 72 151.149 0
Ref Reference (pH 7) -1.39 1.18 -50.4 2 5 1 68 151.149 0
Hi High (pH 8-9.5) -1.39 -0.4 -30.23 0 5 -1 68 149.133 0
Hi High (pH 8-9.5) -1.39 -0.33 -30.71 0 5 -1 68 149.133 0
Mid Mid (pH 6-8) -1.39 0.65 -19.74 1 5 0 66 150.141 0
Mid Mid (pH 6-8) -1.39 1.06 -52.67 2 5 1 68 151.149 0

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

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