| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 1-[4-[(1R,2S)-2-amino-1-(3-methyl-2-thienyl)propyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1R,2S)-2-amino-1-(3-methy…
| 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) | 0.93 | 4.78 | -56.43 | 3 | 4 | 1 | 51 | 296.46 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 4.41 | -7.94 | 2 | 4 | 0 | 50 | 295.452 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.93 | 6.48 | -120.45 | 4 | 4 | 2 | 52 | 297.468 | 3 | ↓ |
