UCSF

ZINC39262138

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 33 No

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Annotations

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) 3.38 11.46 -37.12 1 7 1 68 449.575 9
Mid Mid (pH 6-8) 3.38 12.33 -18.78 0 7 0 67 448.567 9
Lo Low (pH 4.5-6) 3.38 13.65 -108.61 2 7 2 70 450.583 9

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