| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 28 | No |
Popular Name: 4-methyl-2-oxo-N-[[2-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]methyl]pentanamide 4-methyl-2-oxo-N-[[2-[4-(2-pyrid…
| 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) | 1.48 | 10.19 | -82.14 | 3 | 7 | 2 | 81 | 383.496 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 9.29 | -9.24 | 1 | 7 | 0 | 78 | 381.48 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 9.78 | -40.07 | 2 | 7 | 1 | 80 | 382.488 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 9.73 | -31.43 | 2 | 7 | 1 | 80 | 382.488 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
