UCSF

ZINC04430155

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 8 No

Popular Name: (+)-Parasorbinsaeure [German]; (S)-(+)-5,6-Dihydro-6-methyl-2H-pyran-2-one; 2-Hexen-5,1-olide; 2-Hexenoic acid, 5-hydroxy-, delta-lactone; 2H-Pyran-2-one, 5,6-dihydro-6-methyl-; 5-Hydroxy-2-hexenoic acid lactone; BRN 0080685; Hexenollactone; Kyselina para (+)-Parasorbinsaeure [German]; (…

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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) 1.19 1.49 -9.63 0 2 0 26 112.128 0 ↓

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