| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | No |
Popular Name: (3S)-3-(1,4-diazepan-1-yl)-1-isopropyl-pyrrolidine-2,5-dione (3S)-3-(1,4-diazepan-1-yl)-1-iso…
| 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) | -0.63 | 2.59 | -45.03 | 2 | 5 | 1 | 57 | 240.327 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.63 | 1.15 | -6.54 | 1 | 5 | 0 | 53 | 239.319 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.63 | 3.27 | -43.53 | 2 | 5 | 1 | 54 | 240.327 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.63 | 4.56 | -123.07 | 3 | 5 | 2 | 58 | 241.335 | 2 | ↓ |
