In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | Yes |
Popular Name: (2R)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-2-carboxamide (2R)-N-methyl-N-[(4-oxo-3H-thien…
None
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) | 0.65 | 4.4 | -48.42 | 3 | 6 | 1 | 83 | 307.399 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 0.42 | -52.57 | 1 | 6 | -1 | 81 | 305.383 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 1.62 | -62.18 | 2 | 6 | 0 | 86 | 306.391 | 3 | ↓ |