| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 15 | Yes |
Popular Name: (3S,4R)-N3-(cyclobutylmethyl)-N3,N4-dimethyl-tetrahydropyran-3,4-diamine (3S,4R)-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) | 1.26 | 3.76 | -33.73 | 2 | 3 | 1 | 26 | 213.345 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 1.8 | -1.25 | 1 | 3 | 0 | 24 | 212.337 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 3.02 | -35.64 | 2 | 3 | 1 | 29 | 213.345 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 5.03 | -113.54 | 3 | 3 | 2 | 30 | 214.353 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
