| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 20 | Yes |
Popular Name: [5-(3-aminoprop-1-ynyl)-3-pyridyl]-(4-ethylpiperazin-1-yl)methanone [5-(3-aminoprop-1-ynyl)-3-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) | -1.08 | 4.67 | -104.65 | 4 | 5 | 2 | 65 | 274.368 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.08 | 2.04 | -8.16 | 2 | 5 | 0 | 62 | 272.352 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.08 | 4.27 | -43.66 | 3 | 5 | 1 | 64 | 273.36 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.08 | 2.46 | -57.33 | 3 | 5 | 1 | 64 | 273.36 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
