In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 30 | Yes |
Popular Name: (2R)-1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-(2-morpholinoethyl)pyrrolidine-2-carboxamide (2R)-1-[6-(3-bromoanilino)pyrimi…
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) | 2.73 | 7.32 | -15.32 | 2 | 8 | 0 | 83 | 475.391 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 6.94 | -35.23 | 3 | 8 | 1 | 84 | 476.399 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 7.95 | -35.29 | 3 | 8 | 1 | 84 | 476.399 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 9.59 | -52.37 | 3 | 8 | 1 | 84 | 476.399 | 7 | ↓ |