| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 19 | Yes |
Popular Name: (2R)-2-(methylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-propanenitrile (2R)-2-(methylamino)-3-[(4-methy…
| 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) | 1.60 | 7.16 | -11.81 | 1 | 5 | 0 | 67 | 273.365 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 8.13 | -49.87 | 2 | 5 | 1 | 71 | 274.373 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
