| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 18 | Yes |
Popular Name: (2S)-2-amino-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one (2S)-2-amino-1-[4-(2-thienylmeth…
| 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) | 0.33 | 5.35 | -96.68 | 4 | 4 | 2 | 52 | 269.414 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.33 | 3.14 | -9.84 | 2 | 4 | 0 | 50 | 267.398 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.33 | 3.46 | -44.71 | 3 | 4 | 1 | 51 | 268.406 | 3 | ↓ |
