| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (1S)-1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methyl-4-piperidyl)propane-1,3-diamine (1S)-1-(4-bromophenyl)-N,N'-dime…
| 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) | 2.31 | 7.06 | -40.2 | 2 | 3 | 1 | 20 | 355.344 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 8.12 | -93.99 | 3 | 3 | 2 | 24 | 356.352 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 9.46 | -106.24 | 3 | 3 | 2 | 21 | 356.352 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
