| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 15 | Yes |
Popular Name: (1S,2R)-2-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-cyclohexanamine (1S,2R)-2-(aminomethyl)-N-(cyclo…
| 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) | 1.96 | 6.36 | -110.89 | 4 | 2 | 2 | 32 | 212.381 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 5.99 | -32.29 | 3 | 2 | 1 | 30 | 211.373 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.96 | 4.59 | -43.26 | 3 | 2 | 1 | 31 | 211.373 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
