| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | Yes |
Popular Name: 5-hydroxy-2-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyran-4-one 5-hydroxy-2-[[methyl-[2-(methyla…
| 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) | -0.64 | 0.1 | -55.43 | 3 | 5 | 1 | 70 | 213.257 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | 1.86 | -72.24 | 2 | 5 | 0 | 70 | 212.249 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | 0.97 | -82.87 | 2 | 5 | 0 | 73 | 212.249 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.64 | 2.43 | -136.96 | 4 | 5 | 2 | 71 | 214.265 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.64 | 3.29 | -143.41 | 3 | 5 | 1 | 74 | 213.257 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
