| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 17 | No |
Popular Name: 1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]prop-2-en-1-one 1-[4-(2-thienylmethyl)-1,4-diaze…
| 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) | 1.77 | 7.98 | -43.28 | 1 | 3 | 1 | 25 | 251.375 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 6.08 | -7.76 | 0 | 3 | 0 | 24 | 250.367 | 3 | ↓ |
