| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 23 | No |
Popular Name: (2S)-1-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-methylsulfonyl-propan-1-one (2S)-1-[4-[(1-ethylpyrazol-4-yl)…
| 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) | -0.26 | 5.41 | -63.5 | 1 | 7 | 1 | 77 | 343.473 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.26 | 3.57 | -28.3 | 0 | 7 | 0 | 76 | 342.465 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
