In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 17 | Yes |
Popular Name: [1-(4-ethylpiperazin-1-yl)-4-methyl-cyclohexyl]methanamine [1-(4-ethylpiperazin-1-yl)-4-met…
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) | 1.16 | 5.44 | -109.07 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 3.06 | -42.7 | 3 | 3 | 1 | 34 | 240.415 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 4.52 | -114.43 | 4 | 3 | 2 | 35 | 241.423 | 3 | ↓ |