UCSF

ZINC05767566

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 28 No

Popular Name: 4,15-Bis(acetyloxy)-12,13-epoxy-3,7-dihydroxytrichothec-9-en-8-one (3alpha,4beta,7alpha)-; 4,15-Diacetylnivalenol; Diacetylnivalenol; Diazetylnivalenol [German]; LS-157037; NSC 267034; Nivalenol 4,15-diacetate; Nivalenol diacetate; Saubinin I; Trichothec- 4,15-Bis(acetyloxy)-12,13-epoxy-…

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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) -0.48 2.36 -17.66 2 9 0 132 396.392 5 ↓
Hi High (pH 8-9.5) -0.48 3.18 -66.08 1 9 -1 135 395.384 5 ↓

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