| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: (3S)-1-[4-(aminomethyl)-1-methyl-4-piperidyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[4-(aminomethyl)-1-methyl…
| 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) | -0.21 | 3.62 | -172.95 | 5 | 4 | 3 | 40 | 243.419 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.21 | 0.29 | -36.84 | 3 | 4 | 1 | 37 | 241.403 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.21 | 1.23 | -104.29 | 4 | 4 | 2 | 39 | 242.411 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
