| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2010 | 20 | Yes |
Popular Name: (2S)-N,2-dimethyl-3-(4-methyl-1,4-diazepan-1-yl)-2-phenyl-propan-1-amine (2S)-N,2-dimethyl-3-(4-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) | 2.51 | 8.35 | -86.63 | 3 | 3 | 2 | 24 | 277.456 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 7.34 | -107.52 | 3 | 3 | 2 | 24 | 277.456 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 6.18 | -39.08 | 2 | 3 | 1 | 23 | 276.448 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.51 | 8.96 | -108.57 | 3 | 3 | 2 | 21 | 277.456 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.51 | 9.64 | -209.58 | 4 | 3 | 3 | 25 | 278.464 | 5 | ↓ |
