In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 34 | No |
Popular Name: 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-N-[5-(o-tolyl)-1,3,4-thiadiazol-2-yl]acetamide 2-[4-(3,5-dimethoxybenzoyl)piper…
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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) | 2.86 | 8.12 | -42.87 | 1 | 9 | 0 | 104 | 481.578 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.86 | 5.92 | -49.32 | 0 | 9 | -1 | 103 | 480.57 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 6.84 | -22.72 | 1 | 9 | 0 | 97 | 481.578 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.04 | 9.2 | -61.58 | 2 | 9 | 1 | 98 | 482.586 | 7 | ↓ |