In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 28 | Yes |
Popular Name: N-(m-tolyl)-6-[4-(m-tolylmethyl)piperazin-1-yl]pyrimidin-4-amine N-(m-tolyl)-6-[4-(m-tolylmethyl)…
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) | 4.71 | 15.26 | -102.61 | 3 | 5 | 2 | 47 | 375.52 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.71 | 14.93 | -43.83 | 2 | 5 | 1 | 45 | 374.512 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.71 | 12.35 | -30.72 | 2 | 5 | 1 | 46 | 374.512 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.71 | 13.05 | -32.34 | 2 | 5 | 1 | 46 | 374.512 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.71 | 12.69 | -7.14 | 1 | 5 | 0 | 44 | 373.504 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.71 | 14.58 | -90.46 | 3 | 5 | 2 | 47 | 375.52 | 5 | ↓ |