In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 26 | Yes |
Popular Name: 2-[4-(2-pyridyl)-1,4-diazepan-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide 2-[4-(2-pyridyl)-1,4-diazepan-1-…
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) | 2.77 | 10.6 | -48.96 | 2 | 6 | 1 | 63 | 372.518 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.59 | 8.17 | -34.6 | 1 | 6 | 0 | 69 | 371.51 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.77 | 10.87 | -102.85 | 3 | 6 | 2 | 64 | 373.526 | 4 | ↓ |