| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(3-bromophenyl)-N'-ethyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,3-diamine (1S)-1-(3-bromophenyl)-N'-ethyl-…
| 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) | 1.26 | 7.38 | -36.15 | 3 | 3 | 1 | 40 | 342.301 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 4.9 | -4.73 | 2 | 3 | 0 | 38 | 341.293 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 5.24 | -50.64 | 3 | 3 | 1 | 40 | 342.301 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 7.71 | -120.46 | 4 | 3 | 2 | 41 | 343.309 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
