| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2010 | 16 | Yes |
Popular Name: (6S)-1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-6-methyl-1,4-diazepane (6S)-1-[(3R)-1-cyclopropylpyrrol…
| 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) | 0.90 | 5 | -89.22 | 3 | 3 | 2 | 24 | 225.38 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 3.63 | -30.92 | 2 | 3 | 1 | 20 | 224.372 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 1.23 | -0.99 | 1 | 3 | 0 | 19 | 223.364 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 2.6 | -36.41 | 2 | 3 | 1 | 23 | 224.372 | 2 | ↓ |
