| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 28th, 2010 | 28 | Yes |
Popular Name: 2-methyl-1-[4-(methylBLAHcarbonyl)piperazin-1-yl]propan-1-one 2-methyl-1-[4-(methylBLAHcarbony…
| 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) | 1.46 | 8.94 | -21.51 | 0 | 7 | 0 | 71 | 383.496 | 2 | ↓ |
Popular Name: (methylBLAHyl)-[4-(m-tolylmethyl)piperazin-1-yl]methanone (methylBLAHyl)-[4-(m-tolylmethyl…
| 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) | 2.84 | 10.77 | -17.28 | 0 | 6 | 0 | 54 | 417.557 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 13.05 | -53.84 | 1 | 6 | 1 | 55 | 418.565 | 3 | ↓ |
Popular Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-N-ethyl-methyl-BLAHcarboxamide N-[2-(tert-butylamino)-2-oxo-eth…
| 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 | 8.89 | -20.09 | 1 | 7 | 0 | 80 | 385.512 | 5 | ↓ |
