| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(4-bromophenyl)-N'-methyl-N'-(1-methyl-4-piperidyl)propane-1,3-diamine (1S)-1-(4-bromophenyl)-N'-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) | 0.96 | 6.24 | -36.15 | 3 | 3 | 1 | 34 | 341.317 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 6.58 | -99.18 | 4 | 3 | 2 | 35 | 342.325 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 8.53 | -105.74 | 4 | 3 | 2 | 35 | 342.325 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
