| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 13 | Yes |
Popular Name: Choline dihydrogencitrate salt Choline dihydrogencitrate salt
1590-02-9; 2-methyl-1,2,3-propanetricarboxylic acid; nsc66538
| 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) | -0.79 | 5.54 | -210.91 | 0 | 6 | -3 | 120 | 187.127 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.79 | 3.55 | -126.11 | 1 | 6 | -2 | 118 | 188.135 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.79 | 3.57 | -103.27 | 1 | 6 | -2 | 118 | 188.135 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.79 | 1.42 | -57.89 | 2 | 6 | -1 | 115 | 189.143 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.