In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 30 | No |
Popular Name: 2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide 2-[4-(2-methylbenzoyl)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) | 2.82 | 9.33 | -44.39 | 1 | 7 | 0 | 86 | 421.526 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.82 | 7.1 | -50.81 | 0 | 7 | -1 | 85 | 420.518 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 8.18 | -25.75 | 1 | 7 | 0 | 78 | 421.526 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 10.41 | -62.75 | 2 | 7 | 1 | 80 | 422.534 | 5 | ↓ |