| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 19 | Yes |
Popular Name: (1S)-N-[(1S)-1-cyclopentylethyl]-1-(2,4,6-trimethyl-3-pyridyl)ethanamine (1S)-N-[(1S)-1-cyclopentylethyl]…
| 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) | 4.13 | 8.92 | -37.81 | 2 | 2 | 1 | 29 | 261.433 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.13 | 8.63 | -2.98 | 1 | 2 | 0 | 25 | 260.425 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.13 | 9.3 | -90.14 | 3 | 2 | 2 | 31 | 262.441 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
