| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 17 | Yes |
Popular Name: (1R,2R,4R)-N2-(cyclobutylmethyl)-4-isopropyl-N2-methyl-cyclohexane-1,2-diamine (1R,2R,4R)-N2-(cyclobutylmethyl)…
| 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) | 3.16 | 7.38 | -122.59 | 4 | 2 | 2 | 32 | 240.435 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 7.04 | -30.11 | 3 | 2 | 1 | 30 | 239.427 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 5.4 | -39.09 | 3 | 2 | 1 | 31 | 239.427 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
