| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | Yes |
Popular Name: (2S)-3-[4-(2-diethylaminoethyl)-1,4-diazepan-1-yl]-2-methyl-propan-1-amine (2S)-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) | 0.84 | 5.99 | -170.93 | 5 | 4 | 3 | 40 | 273.489 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 2.42 | -40.55 | 3 | 4 | 1 | 37 | 271.473 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 4.41 | -93.13 | 4 | 4 | 2 | 39 | 272.481 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 6.48 | -182.01 | 5 | 4 | 3 | 40 | 273.489 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 4.62 | -84.73 | 4 | 4 | 2 | 39 | 272.481 | 8 | ↓ |
