UCSF

ZINC01532803

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 5 No

Popular Name: 3-hydroxypropanal 3-hydroxypropanal

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CAS Number: 2134-29-4

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) -0.23 -1.38 -7.52 1 2 0 37 74.079 2 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links DHAB_CITFR; DHAT_CITFR; DHAT_KLEPN ChEBI
Patent Database Links US2008131945 ChEBI

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

No pre-computed analogs available. Try a structural similarity search.