| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 17 | Yes |
Popular Name: (2S)-1-[(6-chloro-3-pyridyl)methyl]-2-methyl-1,4-diazepan-5-one (2S)-1-[(6-chloro-3-pyridyl)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) | 1.09 | 2.04 | -10.43 | 1 | 4 | 0 | 45 | 253.733 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 3.97 | -52.26 | 2 | 4 | 1 | 46 | 254.741 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
