| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 20 | Yes |
Popular Name: (2S)-N2-(cyclobutylmethyl)-3-(2-methoxyphenyl)-N2,2-dimethyl-propane-1,2-diamine (2S)-N2-(cyclobutylmethyl)-3-(2-…
| 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) | 2.44 | 7.42 | -120.87 | 4 | 3 | 2 | 41 | 278.44 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 4.81 | -2.57 | 2 | 3 | 0 | 38 | 276.424 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 6.98 | -29.28 | 3 | 3 | 1 | 40 | 277.432 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 5.66 | -40.22 | 3 | 3 | 1 | 40 | 277.432 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
