| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 16 | Yes |
Popular Name: (3R,4S)-N3-(cyclobutylmethyl)-N4-ethyl-N3-methyl-tetrahydropyran-3,4-diamine (3R,4S)-N3-(cyclobutylmethyl)-N4…
| 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) | 1.64 | 4.78 | -30.48 | 2 | 3 | 1 | 26 | 227.372 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 2.33 | -1.45 | 1 | 3 | 0 | 24 | 226.364 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 3.92 | -34.48 | 2 | 3 | 1 | 29 | 227.372 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 5.89 | -113 | 3 | 3 | 2 | 30 | 228.38 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
