In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2004 | 32 | Yes |
Popular Name: (2S)-2-[[4-keto-5-(p-tolyl)-1H-thieno[2,3-d]pyrimidin-2-yl]thio]-N-p-phenetyl-propionamide (2S)-2-[[4-keto-5-(p-tolyl)-1H-t…
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) | 5.99 | 10.31 | -18.3 | 2 | 6 | 0 | 84 | 465.6 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.45 | 9.07 | -48.33 | 1 | 6 | -1 | 87 | 464.592 | 7 | ↓ |