| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 20 | Yes |
Popular Name: (2S)-3-[4-(3-imidazol-1-ylpropyl)-1,4-diazepan-1-yl]-2-methyl-propan-1-amine (2S)-3-[4-(3-imidazol-1-ylpropyl…
| 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) | 0.01 | 7.53 | -156.47 | 5 | 5 | 3 | 54 | 282.456 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.01 | 5.22 | -48.5 | 3 | 5 | 1 | 52 | 280.44 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.01 | 7.02 | -101.35 | 4 | 5 | 2 | 53 | 281.448 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
