| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 12 | Yes |
Popular Name: (5S)-5-methyl-1-[(1R,2S)-2-methylcyclopropyl]-1,4-diazepane (5S)-5-methyl-1-[(1R,2S)-2-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) | 1.56 | 5.77 | -102.89 | 3 | 2 | 2 | 21 | 170.3 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 4.56 | -28.26 | 2 | 2 | 1 | 16 | 169.292 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 4.09 | -34.6 | 2 | 2 | 1 | 20 | 169.292 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 2.83 | -0.75 | 1 | 2 | 0 | 15 | 168.284 | 1 | ↓ |
