| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (3S)-1-[3-(aminomethyl)-2-quinolyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[3-(aminomethyl)-2-quinol…
| 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) | 1.65 | 7.1 | -106.28 | 4 | 4 | 2 | 48 | 272.396 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 4.28 | -7.54 | 2 | 4 | 0 | 45 | 270.38 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 4.71 | -52.93 | 3 | 4 | 1 | 47 | 271.388 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | 7.55 | -181.33 | 5 | 4 | 3 | 49 | 273.404 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
