In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 29 | Yes |
Popular Name: 6-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N-(m-tolyl)pyrimidin-4-amine 6-[4-[(4-ethylphenyl)methyl]pipe…
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) | 5.20 | 16.03 | -102.57 | 3 | 5 | 2 | 47 | 389.547 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.20 | 15.7 | -43.85 | 2 | 5 | 1 | 45 | 388.539 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.20 | 13.13 | -30.54 | 2 | 5 | 1 | 46 | 388.539 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.20 | 13.82 | -32.02 | 2 | 5 | 1 | 46 | 388.539 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.20 | 13.47 | -6.97 | 1 | 5 | 0 | 44 | 387.531 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.20 | 15.34 | -90.38 | 3 | 5 | 2 | 47 | 389.547 | 6 | ↓ |