| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: 4-[(1R)-1-[[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amino]ethyl]benzonitrile 4-[(1R)-1-[[(1S)-1-(4-methyl-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) | 1.40 | 8.39 | -53.05 | 2 | 5 | 1 | 71 | 256.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 7.82 | -13.93 | 1 | 5 | 0 | 67 | 255.325 | 4 | ↓ |
