| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: [6-[(3S)-1-benzylpyrrolidin-3-yl]oxypyridazin-3-yl]methanamine [6-[(3S)-1-benzylpyrrolidin-3-yl…
| 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) | 1.39 | 4.31 | -94.41 | 4 | 5 | 2 | 67 | 286.379 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 3.9 | -40.63 | 3 | 5 | 1 | 65 | 285.371 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 1.47 | -8.88 | 2 | 5 | 0 | 64 | 284.363 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 1.87 | -50.51 | 3 | 5 | 1 | 66 | 285.371 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
