| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 19 | Yes |
Popular Name: (2S)-2-methyl-3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine (2S)-2-methyl-3-[4-(2-methylpyri…
| 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) | 0.04 | 5.27 | -47.8 | 3 | 5 | 1 | 60 | 264.397 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 7.14 | -168.36 | 5 | 5 | 3 | 62 | 266.413 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 6.69 | -112.83 | 4 | 5 | 2 | 61 | 265.405 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 5.71 | -80.78 | 4 | 5 | 2 | 61 | 265.405 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
