| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 15 | Yes |
Popular Name: N,N-dimethyl-4-[(5S)-5-methyl-1,4-diazepan-1-yl]butan-1-amine N,N-dimethyl-4-[(5S)-5-methyl-1,…
| 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) | 1.16 | 5.39 | -80.47 | 3 | 3 | 2 | 24 | 215.385 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.16 | 4.16 | -33.23 | 2 | 3 | 1 | 20 | 214.377 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 7.22 | -175.21 | 4 | 3 | 3 | 25 | 216.393 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 5.99 | -88.56 | 3 | 3 | 2 | 21 | 215.385 | 5 | ↓ |
