| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 21 | Yes |
Popular Name: [3-chloro-6-(methylamino)-2-pyridyl]-[4-[(1S)-1-methylpropyl]piperazin-1-yl]methanone [3-chloro-6-(methylamino)-2-pyri…
| 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) | 2.52 | 5.61 | -8.12 | 1 | 5 | 0 | 48 | 310.829 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 7.27 | -37.26 | 2 | 5 | 1 | 50 | 311.837 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
