UCSF

ZINC38577744

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 No

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Annotations

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Vendors

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) 1.37 5.36 -40.63 4 6 1 85 328.421 3
Mid Mid (pH 6-8) 1.37 5.17 -26.08 3 6 0 87 327.413 3
Mid Mid (pH 6-8) 1.37 6.69 -65.28 4 6 1 89 328.421 3

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

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