UCSF

ZINC69796375

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) 2.36 5.96 -40.78 1 6 1 48 355.528 5
Mid Mid (pH 6-8) 2.36 5.43 -42.8 1 6 1 48 355.528 5
Mid Mid (pH 6-8) 2.36 3.44 -9.24 0 6 0 47 354.52 5
Lo Low (pH 4.5-6) 2.36 7.96 -106.14 2 6 2 49 356.536 5

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

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