In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2009 | 23 | Yes |
Popular Name: (2S)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methylpiperazin-1-yl)propan-1-one (2S)-2-(6-ethylthieno[2,3-d]pyri…
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) | 2.42 | 7.42 | -9.86 | 0 | 5 | 0 | 49 | 350.513 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 9.82 | -50.15 | 1 | 5 | 1 | 51 | 351.521 | 4 | ↓ |