UCSF

ZINC20126022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 No

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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) 2.83 8.97 -129.08 3 5 2 67 267.373 6
Hi High (pH 8-9.5) 2.83 6.85 -47.77 2 5 1 66 266.365 6
Hi High (pH 8-9.5) 2.83 5.38 -6.15 1 5 0 61 265.357 6
Mid Mid (pH 6-8) 2.83 8.01 -41.29 2 5 1 62 266.365 6

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Rings

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