UCSF

ZINC41998614

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 17 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) -0.41 0.87 -17 2 7 0 92 237.215 4
Mid Mid (pH 6-8) -0.23 -1.75 -50.04 1 7 -1 98 236.207 4

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

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