| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2011 | 20 | Yes |
Popular Name: (1S)-N'-(2-isopropyl-6-methyl-pyrimidin-4-yl)-1-phenyl-ethane-1,2-diamine (1S)-N'-(2-isopropyl-6-methyl-py…
| 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) | 0.69 | 6.15 | -50.2 | 4 | 4 | 1 | 65 | 271.388 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 5.71 | -6.05 | 3 | 4 | 0 | 64 | 270.38 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 6.64 | -95.89 | 5 | 4 | 2 | 67 | 272.396 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
