| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2011 | 15 | Yes |
Popular Name: (3R)-N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]tetrahydropyran-3-amine (3R)-N-[(1S)-1-(1-methylimidazol…
| 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) | 0.59 | 3.62 | -28.92 | 2 | 4 | 1 | 40 | 210.301 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.59 | 2.88 | -6.96 | 1 | 4 | 0 | 39 | 209.293 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 4.66 | -102.81 | 3 | 4 | 2 | 45 | 211.309 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 3.97 | -35.89 | 2 | 4 | 1 | 44 | 210.301 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
