| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: (2S)-1-[3-(aminomethyl)phenoxy]-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol (2S)-1-[3-(aminomethyl)phenoxy]-…
| 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) | 0.69 | 1.99 | -90.64 | 5 | 5 | 2 | 65 | 295.427 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 1.59 | -40.38 | 4 | 5 | 1 | 63 | 294.419 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 1.95 | -86.19 | 5 | 5 | 2 | 65 | 295.427 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 4.38 | -168.26 | 6 | 5 | 3 | 66 | 296.435 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
