In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 30 | Yes |
Popular Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-2-carboxamide (2S)-1-(4-anilinopyrimidin-2-yl)…
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) | 2.61 | 11.05 | -21.96 | 2 | 8 | 0 | 90 | 408.506 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.61 | 11.41 | -40.77 | 3 | 8 | 1 | 92 | 409.514 | 8 | ↓ |