| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2011 | 27 | Yes |
Popular Name: 1-[(2S)-2-(diallylamino)-3-methyl-butyl]-3-[2-(1,2,4-triazol-1-yl)-3-pyridyl]urea 1-[(2S)-2-(diallylamino)-3-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) | 2.15 | 11.43 | -39.41 | 3 | 8 | 1 | 89 | 370.481 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 8.6 | -8.61 | 2 | 8 | 0 | 88 | 369.473 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
