| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 27 | Yes |
Popular Name: N-[6-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide N-[6-[4-(2-thienylmethyl)-1,4-di…
| 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) | 3.56 | 9.23 | -10.56 | 1 | 5 | 0 | 48 | 398.557 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.56 | 11.07 | -42.73 | 2 | 5 | 1 | 50 | 399.565 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.56 | 9.57 | -34.83 | 2 | 5 | 1 | 50 | 399.565 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.56 | 11.43 | -97.28 | 3 | 5 | 2 | 51 | 400.573 | 5 | ↓ |
