| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 17 | Yes |
Popular Name: (2S)-2-(4-methyl-1,4-diazepan-1-yl)-2-pyrimidin-4-yl-ethanamine (2S)-2-(4-methyl-1,4-diazepan-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) | -0.80 | 3.72 | -105.44 | 4 | 5 | 2 | 61 | 237.351 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.80 | 1.45 | -5.63 | 2 | 5 | 0 | 58 | 235.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.80 | 2.15 | -41.69 | 3 | 5 | 1 | 60 | 236.343 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
