| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S)-N,N'-dimethyl-N'-(1-methyl-4-piperidyl)-1-phenyl-propane-1,3-diamine (1S)-N,N'-dimethyl-N'-(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) | 1.50 | 6.44 | -37.72 | 2 | 3 | 1 | 20 | 276.448 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | 7.49 | -88.69 | 3 | 3 | 2 | 24 | 277.456 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.50 | 8.85 | -103.16 | 3 | 3 | 2 | 21 | 277.456 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.50 | 9.98 | -198.84 | 4 | 3 | 3 | 25 | 278.464 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
