In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 13 | Yes |
Popular Name: (2S)-N1-methyl-N1-(4-methylcyclohexyl)propane-1,2-diamine (2S)-N1-methyl-N1-(4-methylcyclo…
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) | 1.23 | 5.22 | -116.71 | 4 | 2 | 2 | 32 | 186.343 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.23 | 3.08 | -36.38 | 3 | 2 | 1 | 31 | 185.335 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.23 | 4.83 | -28.78 | 3 | 2 | 1 | 30 | 185.335 | 3 | ↓ |