In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2010 | 18 | No |
Popular Name: 4-[6-(3-aminoprop-1-ynyl)-2-pyridyl]morpholine-3,5-dione 4-[6-(3-aminoprop-1-ynyl)-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) | -1.30 | 1.22 | -58.08 | 3 | 6 | 1 | 87 | 246.246 | 1 | ↓ |
Mid Mid (pH 6-8) | -1.30 | 0.81 | -20.36 | 2 | 6 | 0 | 86 | 245.238 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.