UCSF

ZINC71746327

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2011 17 Yes

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Annotations

None

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) 2.25 6.26 -42.52 1 4 1 40 236.291 4
Mid Mid (pH 6-8) 2.25 4.37 -9.73 0 4 0 39 235.283 4

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

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