| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 19 | Yes |
Popular Name: (3S)-1-[4-(aminomethyl)-1-methyl-4-piperidyl]-N,N-diethyl-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) | 0.54 | 4.64 | -176.44 | 5 | 4 | 3 | 40 | 271.473 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 1.65 | -35.53 | 3 | 4 | 1 | 37 | 269.457 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 2.51 | -105 | 4 | 4 | 2 | 39 | 270.465 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
