UCSF

ZINC69796861

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 27 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) 2.19 8.67 -50.17 1 8 1 81 393.489 5
Mid Mid (pH 6-8) 2.19 6.36 -11.18 0 8 0 80 392.481 5
Mid Mid (pH 6-8) 2.19 8.39 -48.57 1 8 1 81 393.489 5
Lo Low (pH 4.5-6) 2.19 10.71 -119.87 2 8 2 82 394.497 5

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

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