UCSF

ZINC04199649

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 26 No

Popular Name: 4-[4-(hydroxy-isopropoxy-methylene)-3-methyl-2,6,7,9-tetrazabicyclo[4.3.0]nona-2,7,9-trien-5-yl]-2-n 4-[4-(hydroxy-isopropoxy-methyle…

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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) 2.29 10.23 -12.63 2 10 0 135 359.342 5 ↓
Hi High (pH 8-9.5) 1.94 9.7 -109.32 1 10 -2 147 357.326 4 ↓
Mid Mid (pH 6-8) 2.29 11.22 -48.93 1 10 -1 138 358.334 5 ↓
Mid Mid (pH 6-8) 1.77 8.41 -107.38 1 10 -2 143 357.326 4 ↓
Lo Low (pH 4.5-6) 2.47 10.85 -60.81 3 10 1 140 360.35 5 ↓

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