In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2010 | 17 | Yes |
Popular Name: N,N'-diethyl-N'-thieno[3,2-c]pyridin-4-yl-ethane-1,2-diamine N,N'-diethyl-N'-thieno[3,2-c]pyr…
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) | 2.22 | 7.42 | -38.43 | 2 | 3 | 1 | 33 | 250.391 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 7.91 | -93.22 | 3 | 3 | 2 | 34 | 251.399 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 6.56 | -27.36 | 2 | 3 | 1 | 29 | 250.391 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 6.07 | -5.45 | 1 | 3 | 0 | 28 | 249.383 | 6 | ↓ |