| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2010 | 22 | Yes |
Popular Name: (5S)-5-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]piperidin-2-one (5S)-5-[4-(2-thienylmethyl)-1,4-…
| 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) | 1.00 | 6.65 | -51.65 | 2 | 5 | 1 | 54 | 322.454 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 4.77 | -12.91 | 1 | 5 | 0 | 53 | 321.446 | 3 | ↓ |
