| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 15 | No |
Popular Name: LS-187072 LS-187072
(5-hydroxy-4,6-dimethyl-3-pyridinyl)methyl dihydrogen phosphate; 883-84-1; nsc29870
4-deoxypyridoxine 5'-phosphate
| 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) | -0.10 | 1.69 | -134.08 | 1 | 6 | -2 | 110 | 231.144 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | 1.27 | -198.26 | 0 | 6 | -3 | 108 | 230.136 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.10 | -0.23 | -45.18 | 3 | 6 | 0 | 104 | 233.16 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.