| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 15 | Yes |
Popular Name: (5R)-5-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1,4-diazepane (5R)-5-methyl-1-[[(3R)-1-methylp…
| 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) | 1.12 | 4.53 | -80.71 | 3 | 3 | 2 | 24 | 213.369 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 3.35 | -33.12 | 2 | 3 | 1 | 20 | 212.361 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.12 | 5.35 | -93.41 | 3 | 3 | 2 | 21 | 213.369 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.12 | 6.54 | -187.94 | 4 | 3 | 3 | 25 | 214.377 | 2 | ↓ |
