| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | Yes |
Popular Name: (1R,2S,4R)-N2-(3-methoxypropyl)-N1,N2-dimethyl-4-phenyl-cyclohexane-1,2-diamine (1R,2S,4R)-N2-(3-methoxypropyl)-…
| 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) | 3.10 | 7.64 | -40.88 | 2 | 3 | 1 | 29 | 291.459 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | 8.87 | -35.23 | 2 | 3 | 1 | 26 | 291.459 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.10 | 9.27 | -122.59 | 3 | 3 | 2 | 30 | 292.467 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
