UCSF

ZINC52044090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 14 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) -0.71 1.78 -36.64 4 7 0 102 195.23 5
Mid Mid (pH 6-8) -0.71 1.77 -36.65 4 7 0 102 195.23 5
Lo Low (pH 4.5-6) -0.71 1.77 -31.91 5 7 1 104 196.238 5

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

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