UCSF

ZINC00404472

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 19 No

Popular Name: 5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid 5-(1-hydroxy-2,6,6-trimethyl-4-o…

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CAS Numbers: 14375-45-2 , 14398-53-9 , 21293-29-8 , 7773-56-0

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) 2.10 6.01 -48.88 1 4 -1 77 263.313 3 ↓
Lo Low (pH 4.5-6) 2.10 3.97 -10.33 2 4 0 75 264.321 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 185-191? Alfa-Aesar
Melting_Point 185-191° Alfa-Aesar

Activity (Go SEA)

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