| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 18 | Yes |
Popular Name: (2S)-1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrrolidin-1-yl-propan-2-ol (2S)-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) | 0.04 | 2.82 | -44.13 | 3 | 5 | 1 | 70 | 251.354 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 2.29 | -107.11 | 4 | 5 | 2 | 67 | 252.362 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | -0.24 | -43.97 | 3 | 5 | 1 | 66 | 251.354 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 0.91 | -37.77 | 3 | 5 | 1 | 62 | 251.354 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
