UCSF

ZINC63259008

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -2.58 -0.43 -53.87 4 10 -1 158 339.357 4
Hi High (pH 8-9.5) -2.58 -0.37 -84.56 3 10 -2 155 338.349 4
Mid Mid (pH 6-8) -2.58 -1.5 -47.83 5 10 0 159 340.365 4
Lo Low (pH 4.5-6) -2.58 -1.08 -70.7 6 10 1 161 341.373 4

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

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