| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (2S)-1-(4-aminophenoxy)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol (2S)-1-(4-aminophenoxy)-3-[(3S)-…
| 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) | 0.60 | 1.82 | -39.61 | 4 | 5 | 1 | 63 | 280.392 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 4.21 | -109.89 | 5 | 5 | 2 | 64 | 281.4 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 1.78 | -39.08 | 4 | 5 | 1 | 63 | 280.392 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
