| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (3S)-1-[3-[3-(aminomethyl)phenoxy]propyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-[3-(aminomethyl)phenox…
| 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) | 1.60 | 4.72 | -84.75 | 4 | 4 | 2 | 45 | 279.428 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | 1.94 | -4.79 | 2 | 4 | 0 | 42 | 277.412 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.60 | 2.33 | -45.11 | 3 | 4 | 1 | 43 | 278.42 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 7.1 | -166.58 | 5 | 4 | 3 | 46 | 280.436 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
