UCSF

ZINC38791535

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 27 Yes

Popular Name: calcitroate calcitroate

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CAS Number: 71204-89-2

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) 3.85 7.3 -48 2 4 -1 81 373.513 4 ↓
Lo Low (pH 4.5-6) 3.85 5.32 -8.73 3 4 0 78 374.521 4 ↓
Lo Low (pH 4.5-6) 3.85 5.14 -8.63 3 4 0 78 374.521 4 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links CP24A_HUMAN; CP24A_MOUSE; CP24A_RAT ChEBI
Reactome Database Links REACT_13667 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Vitamin D (calciferol) metabolism

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