UCSF

ZINC33902518

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 24 No

Popular Name: 1D-myo-inositol 3,4,6-trisphosphate 1D-myo-inositol 3,4,6-trisphosphate

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

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 -8.48 -470.39 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -7.33 -639.34 3 15 -6 278 414.045 6 ↓
Mid Mid (pH 6-8) -4.71 -8.51 -496.68 4 15 -5 275 415.053 6 ↓
Mid Mid (pH 6-8) -4.71 -8.48 -453.32 4 15 -5 275 415.053 6 ↓
Lo Low (pH 4.5-6) -4.71 -10.8 -194.07 6 15 -3 269 417.069 6 ↓

Vendor Notes

Note Type Comments Provided By
Reactome Database Links REACT_150200; REACT_150431 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Synthesis of IP3 and IP4 in the cytosol

Analogs ( Draw Identity 99% 90% 80% 70% )