In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 18 | Yes |
Popular Name: [4-ethyl-1-(4-ethylpiperazin-1-yl)cyclohexyl]methanamine [4-ethyl-1-(4-ethylpiperazin-1-y…
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) | 1.85 | 5.95 | -100.96 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 3.56 | -47.65 | 3 | 3 | 1 | 34 | 254.442 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 5.01 | -114.4 | 4 | 3 | 2 | 35 | 255.45 | 4 | ↓ |