| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | Yes |
Popular Name: (1S,2S)-N1-methyl-N1-[(2-methyl-3-furyl)methyl]cycloheptane-1,2-diamine (1S,2S)-N1-methyl-N1-[(2-methyl-…
| 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) | 1.68 | 6.45 | -119.6 | 4 | 3 | 2 | 45 | 238.375 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 6.12 | -29.83 | 3 | 3 | 1 | 44 | 237.367 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 4.67 | -41.16 | 3 | 3 | 1 | 44 | 237.367 | 3 | ↓ |
