| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 15 | No |
Popular Name: (3S)-3-(1,4-diazepan-1-yl)-1-methyl-pyrrolidine-2,5-dione (3S)-3-(1,4-diazepan-1-yl)-1-met…
| 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) | -1.30 | 1.64 | -40.3 | 2 | 5 | 1 | 54 | 212.273 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.30 | 0.64 | -44.45 | 2 | 5 | 1 | 57 | 212.273 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.30 | -0.41 | -8.13 | 1 | 5 | 0 | 53 | 211.265 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.30 | -0.72 | -7.8 | 1 | 5 | 0 | 53 | 211.265 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.30 | 0.84 | -44.15 | 2 | 5 | 1 | 57 | 212.273 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.30 | 1.63 | -41.54 | 2 | 5 | 1 | 54 | 212.273 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.30 | 2.91 | -127.19 | 3 | 5 | 2 | 58 | 213.281 | 1 | ↓ |
