UCSF

ZINC52815714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 19 No

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) -0.22 5.21 -17.79 2 5 0 68 273.365 6
Mid Mid (pH 6-8) -0.22 5.38 -46.84 3 5 1 69 274.373 6
Mid Mid (pH 6-8) -0.22 5.1 -37.06 3 5 1 69 274.373 6

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

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