In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 13 | Yes |
Popular Name: N-methyl-N-[(1R,2S)-2-methylcyclohexyl]propane-1,3-diamine N-methyl-N-[(1R,2S)-2-methylcycl…
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) | 1.56 | 5.09 | -102.89 | 4 | 2 | 2 | 32 | 186.343 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.56 | 3.16 | -41.02 | 3 | 2 | 1 | 31 | 185.335 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.56 | 4.71 | -31.09 | 3 | 2 | 1 | 30 | 185.335 | 4 | ↓ |