UCSF

ZINC52876236

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 29 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) 3.56 7.87 -37.71 2 7 1 68 395.483 4
Mid Mid (pH 6-8) 3.56 7.56 -15.45 1 7 0 67 394.475 4
Lo Low (pH 4.5-6) 3.56 10.04 -102.83 3 7 2 69 396.491 4

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

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