| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N,N',2-trimethyl-N'-(1-methyl-4-piperidyl)-1-phenyl-propane-1,3-diamine (1S,2S)-N,N',2-trimethyl-N'-(1-m…
| 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) | 2.88 | 8.39 | -31.95 | 2 | 3 | 1 | 20 | 290.475 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.88 | 8.27 | -82.45 | 3 | 3 | 2 | 24 | 291.483 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.88 | 10.79 | -96.94 | 3 | 3 | 2 | 21 | 291.483 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.88 | 10.14 | -189.08 | 4 | 3 | 3 | 25 | 292.491 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
