| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 20 | Yes |
Popular Name: (2S)-1-[3-(aminomethyl)phenoxy]-3-[cyclopropylmethyl(ethyl)amino]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) | 1.79 | 4.97 | -88.73 | 5 | 4 | 2 | 62 | 280.412 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 4.57 | -38.65 | 4 | 4 | 1 | 60 | 279.404 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
