In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 20 | Yes |
Popular Name: N-(2-aminoethyl)-2-[(6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide N-(2-aminoethyl)-2-[(6-ethyl-4-o…
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) | 0.92 | 0.74 | -60.54 | 5 | 6 | 1 | 102 | 313.428 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.38 | -1.11 | -48.17 | 3 | 6 | -1 | 104 | 311.412 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.38 | -0.73 | -78.93 | 4 | 6 | 0 | 106 | 312.42 | 6 | ↓ |