| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 1-[4-[(1R,2S)-2-amino-1-(5-chloro-2-thienyl)butyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1R,2S)-2-amino-1-(5-chlor…
| 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) | 1.89 | 5.88 | -52.07 | 3 | 4 | 1 | 51 | 330.905 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 5.26 | -8.24 | 2 | 4 | 0 | 50 | 329.897 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 7.09 | -43.77 | 3 | 4 | 1 | 51 | 330.905 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.89 | 7.39 | -130.24 | 4 | 4 | 2 | 52 | 331.913 | 4 | ↓ |
