| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 15 | Yes |
Popular Name: (2S)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentanone (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) | 0.95 | 5.8 | -31.63 | 1 | 3 | 1 | 25 | 211.329 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.95 | 3.73 | -5.52 | 0 | 3 | 0 | 24 | 210.321 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 7.73 | -102.09 | 2 | 3 | 2 | 26 | 212.337 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
