In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 20 | Yes |
Popular Name: 3-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl-ethyl-amino]propanenitrile 3-[(4-chloro-5,6-dimethyl-thieno…
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) | 2.44 | 6.03 | -9.66 | 0 | 4 | 0 | 53 | 308.838 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.44 | 8.41 | -46.27 | 1 | 4 | 1 | 54 | 309.846 | 5 | ↓ |