In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
Popular Name: (1R,2S)-N1-ethyl-N2-methyl-N2-[(1R,2S)-2-methylcyclohexyl]cyclopentane-1,2-diamine (1R,2S)-N1-ethyl-N2-methyl-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) | 3.53 | 9.13 | -110.92 | 3 | 2 | 2 | 21 | 240.435 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.53 | 9.24 | -28.58 | 2 | 2 | 1 | 16 | 239.427 | 4 | ↓ |