| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 15 | Yes |
Popular Name: (4S)-2,2-dimethyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (4S)-2,2-dimethyl-N-(4H-1,2,4-tr…
| 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) | 0.24 | 3.48 | -39.61 | 3 | 5 | 1 | 67 | 211.289 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | 3.3 | -33.15 | 2 | 5 | 0 | 66 | 210.281 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | 2.27 | -6.52 | 2 | 5 | 0 | 63 | 210.281 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
