| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 15 | Yes |
Popular Name: (3S)-N,N-dimethyl-3-[(5S)-5-methyl-1,4-diazepan-1-yl]butan-1-amine (3S)-N,N-dimethyl-3-[(5S)-5-meth…
| 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) | 1.22 | 6.54 | -189.86 | 4 | 3 | 3 | 25 | 216.393 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 5.18 | -84.09 | 3 | 3 | 2 | 24 | 215.385 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 5.24 | -99.07 | 3 | 3 | 2 | 21 | 215.385 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 3.87 | -33.49 | 2 | 3 | 1 | 20 | 214.377 | 4 | ↓ |
