In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 32 | Yes |
Popular Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(2-morpholinoethyl)benzamide 3-[[2-(3-methylanilino)pyrimidin…
None
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) | 3.91 | 9.3 | -14 | 3 | 8 | 0 | 91 | 432.528 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.91 | 11.57 | -50.13 | 4 | 8 | 1 | 93 | 433.536 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.91 | 11.18 | -88.14 | 5 | 8 | 2 | 94 | 434.544 | 8 | ↓ |