| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2011 | 26 | Yes |
Popular Name: (2R)-4-methyl-N-[[2-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]methyl]pentan-2-amine (2R)-4-methyl-N-[[2-[4-(2-pyridy…
| 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) | 3.32 | 11.99 | -169.52 | 4 | 5 | 3 | 51 | 356.538 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 11.19 | -41.12 | 2 | 5 | 1 | 49 | 354.522 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.32 | 11.66 | -102.16 | 3 | 5 | 2 | 50 | 355.53 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.32 | 11.59 | -84.9 | 3 | 5 | 2 | 50 | 355.53 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
