| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 21 | Yes |
Popular Name: (1S)-1-[4-(aminomethyl)phenyl]-2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]ethanol (1S)-1-[4-(aminomethyl)phenyl]-2…
| 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) | 0.89 | 3.35 | -84.52 | 5 | 4 | 2 | 56 | 291.439 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 3.1 | -36.82 | 4 | 4 | 1 | 54 | 290.431 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 3.5 | -88.69 | 5 | 4 | 2 | 56 | 291.439 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 5.91 | -170.06 | 6 | 4 | 3 | 57 | 292.447 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
