In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2009 | 18 | Yes |
Popular Name: 5-(4-methyl-1,4-diazepan-1-yl)-1,3-benzothiazol-4-amine 5-(4-methyl-1,4-diazepan-1-yl)-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) | 2.02 | 6.09 | -40.73 | 3 | 4 | 1 | 47 | 263.39 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 4.08 | -4.4 | 2 | 4 | 0 | 45 | 262.382 | 1 | ↓ |