| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 22 | Yes |
Popular Name: 6-[(4-isopropylphenyl)methyl]-3-tert-butylamino-4H-1,2,4-triazin-5-one 6-[(4-isopropylphenyl)methyl]-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) | 4.22 | 6.98 | -19.34 | 2 | 5 | 0 | 71 | 300.406 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.68 | 7 | -44.93 | 1 | 5 | -1 | 74 | 299.398 | 5 | ↓ |
