| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 15 | Yes |
Popular Name: (3S)-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine (3S)-N-methyl-1-[(5-methylpyrazi…
| 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) | 0.40 | 2.33 | -35.64 | 2 | 4 | 1 | 42 | 207.301 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 1.05 | -43.38 | 2 | 4 | 1 | 46 | 207.301 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | -0.16 | -5.4 | 1 | 4 | 0 | 41 | 206.293 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.40 | 3.55 | -112.66 | 3 | 4 | 2 | 47 | 208.309 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
