| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (2R,3S)-2-(2,5-dimethyl-3-thienyl)-1-methyl-azepan-3-amine (2R,3S)-2-(2,5-dimethyl-3-thieny…
| 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) | 1.73 | 4.2 | -36.5 | 3 | 2 | 1 | 31 | 239.408 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 3.87 | -1.83 | 2 | 2 | 0 | 29 | 238.4 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.73 | 6.23 | -104.12 | 4 | 2 | 2 | 32 | 240.416 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.73 | 5.87 | -31.11 | 3 | 2 | 1 | 30 | 239.408 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
