| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 14 | Yes |
Popular Name: (3R,4S)-N3-(cyclobutylmethyl)-N3-methyl-tetrahydropyran-3,4-diamine (3R,4S)-N3-(cyclobutylmethyl)-N3…
| 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) | 0.35 | 1.38 | -40.82 | 3 | 3 | 1 | 40 | 199.318 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.35 | 1.08 | -1.76 | 2 | 3 | 0 | 38 | 198.31 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.35 | 3.42 | -119.66 | 4 | 3 | 2 | 41 | 200.326 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.35 | 3.13 | -33.15 | 3 | 3 | 1 | 40 | 199.318 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
