| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | Yes |
Popular Name: (1S)-1-(benzofuran-2-yl)-N-ethyl-N'-(3-methoxypropyl)-N'-methyl-ethane-1,2-diamine (1S)-1-(benzofuran-2-yl)-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) | 2.90 | 5.91 | -40.73 | 2 | 4 | 1 | 42 | 291.415 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 6.91 | -40.8 | 2 | 4 | 1 | 39 | 291.415 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 5.42 | -6.1 | 1 | 4 | 0 | 38 | 290.407 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 8.06 | -117.75 | 3 | 4 | 2 | 43 | 292.423 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
