| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (3S)-1-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-(aminomethyl)-5,6,7,8-…
| 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) | 1.82 | 7.78 | -179.33 | 5 | 4 | 3 | 49 | 277.436 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 5.07 | -21.67 | 3 | 4 | 1 | 47 | 275.42 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 4.97 | -48.85 | 3 | 4 | 1 | 47 | 275.42 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 5.38 | -99.59 | 4 | 4 | 2 | 48 | 276.428 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 7.36 | -101.47 | 4 | 4 | 2 | 48 | 276.428 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
