| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2010 | 17 | Yes |
Popular Name: (2S)-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamine (2S)-N-methyl-2-[(4-methyl-1,2,4…
| 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) | 1.75 | 8.36 | -37.53 | 2 | 4 | 1 | 47 | 249.363 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 7.09 | -9.82 | 1 | 4 | 0 | 43 | 248.355 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
