| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 17 | Yes |
Popular Name: (3R)-1-[(5-methylpyrazin-2-yl)methyl]-N-propyl-pyrrolidin-3-amine (3R)-1-[(5-methylpyrazin-2-yl)me…
| 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) | 1.28 | 2.98 | -42.12 | 2 | 4 | 1 | 46 | 235.355 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 4.23 | -36.81 | 2 | 4 | 1 | 42 | 235.355 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 1.77 | -4.93 | 1 | 4 | 0 | 41 | 234.347 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 5.42 | -114.31 | 3 | 4 | 2 | 47 | 236.363 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
