UCSF

ZINC33755828

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 22 Yes

Popular Name: 1-Oxo-3-diallilammino-1H-nafto(2,1-b)pirano [Italian]; 1H-Naphtho(2,1-b)pyran-1-one, 3-(di-2-propenylamino)-; 3-(Di-2-propenylamino)-1H-naphtho(2,1-b)pyran-1-one; BRN 1649904; K 8410; LS-95554 1-Oxo-3-diallilammino-1H-nafto(2…

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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) 0.90 8.47 -25.71 1 3 1 36 292.358 4 ↓
Hi High (pH 8-9.5) 4.49 10.31 -13.94 0 3 0 33 291.35 5 ↓

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