| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 16th, 2009 | 25 | No |
Popular Name: N-[(2R)-2-(diethylamino)propyl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide N-[(2R)-2-(diethylamino)propyl]-…
| 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) | 2.96 | 10.28 | -80.62 | 2 | 6 | 0 | 64 | 361.515 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 8.29 | -55.73 | 1 | 6 | -1 | 63 | 360.507 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.23 | 10.44 | -57.51 | 3 | 6 | 1 | 67 | 362.523 | 8 | ↓ |
