| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: (3S)-1-[(1S,2S)-1-(ethylamino)tetralin-2-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1S,2S)-1-(ethylamino)te…
| 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) | 2.73 | 6.35 | -35.58 | 2 | 3 | 1 | 20 | 288.459 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 7.27 | -33.14 | 2 | 3 | 1 | 23 | 288.459 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 3.96 | -1.62 | 1 | 3 | 0 | 19 | 287.451 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 6.46 | -35.12 | 2 | 3 | 1 | 20 | 288.459 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.73 | 9.66 | -91.12 | 3 | 3 | 2 | 24 | 289.467 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
