| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 19 | Yes |
Popular Name: (1R,2S,5R)-2-(aminomethyl)-5-tert-butyl-N-(cyclobutylmethyl)-N-methyl-cyclohexanamine (1R,2S,5R)-2-(aminomethyl)-5-ter…
| 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) | 3.29 | 8.28 | -115.44 | 4 | 2 | 2 | 32 | 268.489 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 7.91 | -34.35 | 3 | 2 | 1 | 30 | 267.481 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 6.45 | -42.46 | 3 | 2 | 1 | 31 | 267.481 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
