In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 11th, 2010 | 32 | No |
Popular Name: [(1R,2S,4S,5R)-3-hydroxy-2,4,5,6-tetraphosphonooxy-cyclohexyl] [(1R,2S,4S,5R)-3-hydroxy-2,4,5,6…
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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) | -5.34 | -10.16 | -431.32 | 6 | 21 | -5 | 368 | 575.011 | 10 | ↓ |
Mid Mid (pH 6-8) | -5.34 | -4.43 | -1510.26 | 1 | 21 | -10 | 382 | 569.971 | 10 | ↓ |
Mid Mid (pH 6-8) | -5.34 | -5.57 | -1268.18 | 2 | 21 | -9 | 379 | 570.979 | 10 | ↓ |
Mid Mid (pH 6-8) | -5.34 | -5.57 | -1236.25 | 2 | 21 | -9 | 379 | 570.979 | 10 | ↓ |
Mid Mid (pH 6-8) | -5.34 | -5.51 | -1261.84 | 2 | 21 | -9 | 379 | 570.979 | 10 | ↓ |
Mid Mid (pH 6-8) | -5.34 | -5.51 | -1269.87 | 2 | 21 | -9 | 379 | 570.979 | 10 | ↓ |
Lo Low (pH 4.5-6) | -5.34 | -9.01 | -602.91 | 5 | 21 | -6 | 371 | 574.003 | 10 | ↓ |
Lo Low (pH 4.5-6) | -5.34 | -9.01 | -602.07 | 5 | 21 | -6 | 371 | 574.003 | 10 | ↓ |
Lo Low (pH 4.5-6) | -5.34 | -8.95 | -614.12 | 5 | 21 | -6 | 371 | 574.003 | 10 | ↓ |