| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: [(2R,4S)-4-hydroxypyrrolidin-2-yl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone [(2R,4S)-4-hydroxypyrrolidin-2-y…
| 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) | 0.38 | 4.32 | -96.69 | 4 | 5 | 2 | 62 | 311.451 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.38 | 1.07 | -9.28 | 2 | 5 | 0 | 56 | 309.435 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.38 | 2.46 | -40.87 | 3 | 5 | 1 | 60 | 310.443 | 3 | ↓ |
