| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 20 | Yes |
Popular Name: (1S,2S,4R)-N2-(3-methoxypropyl)-N2-methyl-4-phenyl-cyclohexane-1,2-diamine (1S,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) | 2.19 | 4.58 | -39.55 | 3 | 3 | 1 | 40 | 277.432 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.19 | 7.12 | -36.93 | 3 | 3 | 1 | 40 | 277.432 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 6.49 | -121.29 | 4 | 3 | 2 | 41 | 278.44 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
