| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 22 | Yes |
Popular Name: (4S)-1-methyl-4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one (4S)-1-methyl-4-[4-(2-thienylmet…
| 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) | 0.98 | 7.92 | -53.6 | 1 | 5 | 1 | 45 | 322.454 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 6.05 | -16.8 | 0 | 5 | 0 | 44 | 321.446 | 3 | ↓ |
