| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 20 | Yes |
Popular Name: (1S)-N-[(1S)-1-(3-pyridyl)ethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1S)-N-[(1S)-1-(3-pyridyl)ethyl]…
| 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) | 2.74 | 7.66 | -42.43 | 2 | 3 | 1 | 42 | 270.4 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 7.31 | -6.37 | 1 | 3 | 0 | 38 | 269.392 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 8.04 | -95.19 | 3 | 3 | 2 | 44 | 271.408 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 7.71 | -29.84 | 2 | 3 | 1 | 39 | 270.4 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
