| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: 1-[4-[(1S)-2-amino-1-(3-methyl-2-thienyl)ethyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1S)-2-amino-1-(3-methyl-2…
| 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) | 0.53 | 4.26 | -58.01 | 3 | 4 | 1 | 51 | 282.433 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.53 | 3.58 | -9.47 | 2 | 4 | 0 | 50 | 281.425 | 3 | ↓ |
