In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 33 | No |
Popular Name: 2-(4-(3,5-dimethoxybenzoyl)piperazin-1-yl)-N-(5-phenyl-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) | 2.46 | 6.99 | -57.38 | 1 | 9 | 0 | 104 | 467.551 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.46 | 4.69 | -54.8 | 0 | 9 | -1 | 103 | 466.543 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 5.77 | -30.09 | 1 | 9 | 0 | 97 | 467.551 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.64 | 8.08 | -74.52 | 2 | 9 | 1 | 98 | 468.559 | 7 | ↓ |