UCSF

ZINC41461764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 0.83 4.17 -46.83 1 6 1 46 286.396 6
Mid Mid (pH 6-8) 0.83 1.96 -7.43 0 6 0 45 285.388 6
Mid Mid (pH 6-8) 0.83 4.23 -42.95 1 6 1 46 286.396 6
Mid Mid (pH 6-8) 0.83 6.45 -116.02 2 6 2 48 287.404 6

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

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