In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 22 | Yes |
Popular Name: 2-(4-aminothieno[3,2-e]pyrimidin-2-yl)sulfanyl-1-[(2R,6S)-2,6-dimethyl-1-piperidyl]ethanone 2-(4-aminothieno[3,2-e]pyrimidin…
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) | 3.30 | 6.47 | -13.32 | 2 | 5 | 0 | 72 | 336.486 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.30 | 6.75 | -31.51 | 3 | 5 | 1 | 73 | 337.494 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.30 | 2.87 | -27.7 | 3 | 5 | 1 | 73 | 337.494 | 3 | ↓ |