| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 21 | Yes |
Popular Name: [5-(3-aminoprop-1-ynyl)-3-pyridyl]-(4-cyclopropylpiperazin-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) | -1.09 | 5.37 | -107.91 | 4 | 5 | 2 | 65 | 286.379 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.09 | 2.78 | -8.11 | 2 | 5 | 0 | 62 | 284.363 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.09 | 3.19 | -56.31 | 3 | 5 | 1 | 64 | 285.371 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.09 | 4.97 | -43.21 | 3 | 5 | 1 | 64 | 285.371 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
