| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | No |
Popular Name: 1-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]azepane-2,7-dione 1-[(2S)-2-cyclopropyl-2-(methyla…
| 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) | 1.04 | 5.52 | -30.91 | 2 | 4 | 1 | 54 | 225.312 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 4.82 | -7.03 | 1 | 4 | 0 | 49 | 224.304 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
