In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 19 | Yes |
Popular Name: 2,2-dimethyl-N-(6-piperazin-1-yl-3-pyridyl)propanamide 2,2-dimethyl-N-(6-piperazin-1-yl…
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) | 1.49 | 4.86 | -46.82 | 3 | 5 | 1 | 62 | 263.365 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 3.59 | -9.08 | 2 | 5 | 0 | 57 | 262.357 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.49 | 5.22 | -99.69 | 4 | 5 | 2 | 63 | 264.373 | 3 | ↓ |