| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 24 | No |
Popular Name: D-myo-inositol 2,4,5-trisphosphate, hexaammonium salt D-myo-inositol 2,4,5-trisphospha…
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CAS Number: 92216-45-0
| 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) | -4.71 | -8.43 | -486.43 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -8.43 | -473.12 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -7.29 | -662.62 | 3 | 15 | -6 | 278 | 414.045 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -8.43 | -505.01 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -4.71 | -10.72 | -197.48 | 6 | 15 | -3 | 269 | 417.069 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.