UCSF

ZINC56695815

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 22 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) 1.90 2.64 -108 0 8 -2 123 316.298 3
Mid Mid (pH 6-8) 1.44 4.69 -37.47 1 8 -1 120 317.306 3
Lo Low (pH 4.5-6) 1.44 3.89 -15.76 2 8 0 117 318.314 3
Lo Low (pH 4.5-6) 1.90 1.84 -50.73 1 8 -1 120 317.306 3

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