| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 21 | Yes |
Popular Name: [3-[(3S)-1-benzylpyrrolidin-3-yl]oxypyrazin-2-yl]methanamine [3-[(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) | 1.38 | 3.87 | -100.33 | 4 | 5 | 2 | 67 | 286.379 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | 1.03 | -6.81 | 2 | 5 | 0 | 64 | 284.363 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 1.43 | -40.83 | 3 | 5 | 1 | 66 | 285.371 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 3.47 | -41.3 | 3 | 5 | 1 | 65 | 285.371 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
