In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 32 | No |
Popular Name: 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]acetamide 2-[4-(4-methoxybenzoyl)piperazin…
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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) | 2.90 | 8.57 | -48.02 | 1 | 8 | 0 | 95 | 451.552 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 6.36 | -51.9 | 0 | 8 | -1 | 94 | 450.544 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.08 | 7.36 | -24.84 | 1 | 8 | 0 | 88 | 451.552 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 9.64 | -67.1 | 2 | 8 | 1 | 89 | 452.56 | 6 | ↓ |