| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: (2S,4R)-2-isopropyl-N-(2-thienylmethyl)tetrahydropyran-4-amine (2S,4R)-2-isopropyl-N-(2-thienyl…
| 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) | 2.88 | 6.5 | -40.64 | 2 | 2 | 1 | 26 | 240.392 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 5.31 | -2.6 | 1 | 2 | 0 | 21 | 239.384 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
