| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2011 | 16 | Yes |
Popular Name: N-[(4-isopropyl-1,2,4-triazol-3-yl)methyl]-N-methyl-pentan-3-amine N-[(4-isopropyl-1,2,4-triazol-3-…
| 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) | 1.85 | 8.61 | -37.99 | 1 | 4 | 1 | 35 | 225.36 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 6.94 | -9.27 | 0 | 4 | 0 | 34 | 224.352 | 6 | ↓ |
