In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2006 | 26 | Yes |
Popular Name: 2-[(4-amino-6-oxo-3H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-pyridylmethyl)phenyl]-acetamide 2-[(4-amino-6-oxo-3H-pyrimidin-2…
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) | 2.23 | 5.3 | -19.37 | 4 | 7 | 0 | 114 | 367.434 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.23 | 5.76 | -49.23 | 5 | 7 | 1 | 115 | 368.442 | 6 | ↓ |