| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: (2S,4R)-2-propyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-propyl-N-(4H-1,2,4-tri…
| 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) | 0.86 | 4.88 | -39.1 | 3 | 5 | 1 | 67 | 225.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 3.8 | -7.63 | 2 | 5 | 0 | 63 | 224.308 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
