In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 15 | Yes |
Popular Name: 1-[[[(1S)-1,2-dimethylpropyl]-methyl-amino]methyl]cyclohexanamine 1-[[[(1S)-1,2-dimethylpropyl]-me…
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) | 3.18 | 6.92 | -114.19 | 4 | 2 | 2 | 32 | 214.397 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.18 | 4.63 | -34.79 | 3 | 2 | 1 | 31 | 213.389 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 6.91 | -27.99 | 3 | 2 | 1 | 30 | 213.389 | 4 | ↓ |