In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2010 | 16 | Yes |
Popular Name: N-ethyl-N'-methyl-N'-thieno[3,2-c]pyridin-4-yl-ethane-1,2-diamine N-ethyl-N'-methyl-N'-thieno[3,2-…
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) | 1.85 | 6.57 | -38.01 | 2 | 3 | 1 | 33 | 236.364 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 7.05 | -92.48 | 3 | 3 | 2 | 34 | 237.372 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 5.7 | -27.33 | 2 | 3 | 1 | 29 | 236.364 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 5.22 | -5.75 | 1 | 3 | 0 | 28 | 235.356 | 5 | ↓ |