| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | Yes |
Popular Name: (1R,2R,5R)-2-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5-phenyl-cyclohexanamine (1R,2R,5R)-2-(aminomethyl)-N-(3-…
| 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) | 2.50 | 7.61 | -121.43 | 4 | 3 | 2 | 41 | 292.467 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 7.23 | -36.48 | 3 | 3 | 1 | 40 | 291.459 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 5.78 | -48.75 | 3 | 3 | 1 | 40 | 291.459 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
