UCSF

ZINC71529058

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 27 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) 3.33 9.36 -50.54 0 6 -1 77 376.465 4
Mid Mid (pH 6-8) 3.27 11.44 -39.75 2 6 1 72 378.481 4
Mid Mid (pH 6-8) 3.27 10.98 -19.28 1 6 0 71 377.473 4

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

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