| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 32 | Yes |
Popular Name: N-[6-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-(trifluoromethyl)benzamide 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) | 4.51 | 11.26 | -15.06 | 1 | 5 | 0 | 48 | 460.525 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.51 | 13.14 | -45.43 | 2 | 5 | 1 | 50 | 461.533 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.51 | 11.56 | -40.09 | 2 | 5 | 1 | 50 | 461.533 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.51 | 13.46 | -100.68 | 3 | 5 | 2 | 51 | 462.541 | 6 | ↓ |
