UCSF

ZINC65549707

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 25 Yes

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) 2.64 11.34 -47.83 1 5 1 43 339.463 5
Mid Mid (pH 6-8) 2.64 11.77 -110.33 2 5 2 44 340.471 5
Mid Mid (pH 6-8) 2.64 9.48 -34.4 1 5 1 43 339.463 5
Mid Mid (pH 6-8) 2.64 9.06 -6.66 0 5 0 41 338.455 5

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

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