In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 23 | Yes |
Popular Name: 4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-N,N-dimethyl-butan-1-amine 4-[4-(1,3-benzothiazol-2-yl)-1,4…
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) | 3.33 | 11 | -100.09 | 2 | 4 | 2 | 25 | 334.533 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.33 | 9.03 | -40.42 | 1 | 4 | 1 | 24 | 333.525 | 6 | ↓ |