| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[4-(2-diethylaminoethyl)-1,4-diazepan-1-yl]pentan-1-amine (3S)-3-[4-(2-diethylaminoethyl)-…
| 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) | 1.23 | 4.82 | -81.65 | 4 | 4 | 2 | 39 | 286.508 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 2.81 | -41.69 | 3 | 4 | 1 | 37 | 285.5 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.23 | 4.62 | -92.83 | 4 | 4 | 2 | 39 | 286.508 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 6.65 | -177.38 | 5 | 4 | 3 | 40 | 287.516 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 6.3 | -169.42 | 5 | 4 | 3 | 40 | 287.516 | 9 | ↓ |
