In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 16 | Yes |
Popular Name: (2R)-N1-methyl-N1-[(1R,2S)-2-methylcyclohexyl]-N2-propyl-propane-1,2-diamine (2R)-N1-methyl-N1-[(1R,2S)-2-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) | 3.48 | 8.66 | -111.55 | 3 | 2 | 2 | 21 | 228.424 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.48 | 7.39 | -31.59 | 2 | 2 | 1 | 16 | 227.416 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.48 | 7.14 | -32.48 | 2 | 2 | 1 | 20 | 227.416 | 6 | ↓ |