In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 19 | Yes |
Popular Name: (1R,2R)-N2-methyl-N1-propyl-N2-(3-pyridylmethyl)cyclohexane-1,2-diamine (1R,2R)-N2-methyl-N1-propyl-N2-(…
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) | 2.56 | 8.22 | -118.57 | 3 | 3 | 2 | 34 | 263.429 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.56 | 7.06 | -38.09 | 2 | 3 | 1 | 29 | 262.421 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.56 | 5.15 | -3 | 1 | 3 | 0 | 28 | 261.413 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 6.25 | -36.16 | 2 | 3 | 1 | 33 | 262.421 | 6 | ↓ |