| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 16 | Yes |
Popular Name: (2R)-N-methyl-2-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine (2R)-N-methyl-2-phenyl-2-(1H-1,2…
| 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) | 1.68 | 6.54 | -38.42 | 3 | 4 | 1 | 58 | 235.336 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 6.2 | -41.61 | 2 | 4 | 0 | 56 | 234.328 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 4.86 | -39.12 | 1 | 4 | -1 | 52 | 233.32 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
