In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 30 | Yes |
Popular Name: (2S)-1-[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-N-phenyl-pyrrolidine-2-carboxamide (2S)-1-[2-amino-6-(3-methoxyanil…
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) | 3.60 | 9.85 | -17.42 | 4 | 8 | 0 | 105 | 404.474 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.60 | 10.49 | -30.74 | 5 | 8 | 1 | 107 | 405.482 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.60 | 9.46 | -30.21 | 5 | 8 | 1 | 107 | 405.482 | 6 | ↓ |