| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: (1R,2S)-N1-(3-furylmethyl)-N1-methyl-cycloheptane-1,2-diamine (1R,2S)-N1-(3-furylmethyl)-N1-me…
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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) | 1.46 | 5.07 | -120.04 | 4 | 3 | 2 | 45 | 224.348 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 5.57 | -34.02 | 3 | 3 | 1 | 44 | 223.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 3.59 | -40.13 | 3 | 3 | 1 | 44 | 223.34 | 3 | ↓ |
