UCSF

ZINC58834919

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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 0.76 -43.67 3 10 -1 138 309.364 6
Hi High (pH 8-9.5) -0.62 0.61 -79.32 2 10 -2 137 308.356 6
Mid Mid (pH 6-8) -0.62 0.68 -15.14 4 10 0 140 310.372 6

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

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