| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 20th, 2009 | 24 | No |
Popular Name: Inositol 1,3,4-trisphosphate Inositol 1,3,4-trisphosphate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 140385-74-6 , 98102-63-7
(1s,3s,4s)-1,3,4-Triphospho-Myo-Inositol
D-MYO-INOSITOL 1,3,4-TRISPHOSPHATE HEXAPOTASSIUM SALT
D-myo-Inositol-1,3,4-triphosphate (sodium salt)
D-MYO-INOSITOL1,3,4-TRISPHOSPHATEHEXAPOTASSIUMSALT
[(1S,2R,3R,4S,5S,6S)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid
| 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 | -8.23 | -495.03 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -7.09 | -636.76 | 3 | 15 | -6 | 278 | 414.045 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -8.24 | -452.98 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -8.24 | -494.67 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.71 | -8.23 | -462.37 | 4 | 15 | -5 | 275 | 415.053 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -4.71 | -10.53 | -190.91 | 6 | 15 | -3 | 269 | 417.069 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -4.71 | -10.52 | -190.65 | 6 | 15 | -3 | 269 | 417.069 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.48e+01 g/l | DrugBank-experimental |
No pre-computed analogs available. Try a structural similarity search.