| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: (1R,2S)-N1-methyl-N1-[(2-methyl-3-furyl)methyl]cyclohexane-1,2-diamine (1R,2S)-N1-methyl-N1-[(2-methyl-…
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| 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) | 1.17 | 5.93 | -117.64 | 4 | 3 | 2 | 45 | 224.348 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 5.69 | -32.72 | 3 | 3 | 1 | 44 | 223.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 3.91 | -40.97 | 3 | 3 | 1 | 44 | 223.34 | 3 | ↓ |
