In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 16 | Yes |
Popular Name: 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile 4-chloro-6-(4-methylpiperazin-1-…
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) | 0.83 | 5.8 | -41.83 | 1 | 5 | 1 | 57 | 238.702 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.83 | 3.33 | -4.94 | 0 | 5 | 0 | 56 | 237.694 | 1 | ↓ |