UCSF

ZINC52538474

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 3.36 7.36 -38.89 1 5 -1 74 357.436 4
Hi High (pH 8-9.5) 3.40 6.53 -115.95 0 5 -2 74 356.428 4
Mid Mid (pH 6-8) 2.44 9.36 -10.83 2 5 0 67 358.444 5
Mid Mid (pH 6-8) 2.48 8.38 -45.99 1 5 -1 68 357.436 5

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

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