| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 19 | Yes |
Popular Name: (1S)-1-(4-bromophenyl)-N'-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]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) | 0.91 | 6.7 | -38.64 | 3 | 3 | 1 | 40 | 328.274 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 4.33 | -4.17 | 2 | 3 | 0 | 38 | 327.266 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 4.63 | -50.61 | 3 | 3 | 1 | 40 | 328.274 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.91 | 7.04 | -124.83 | 4 | 3 | 2 | 41 | 329.282 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
