UCSF

ZINC02803055

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 15 Yes

Popular Name: 3-Methyl-5-oxo-5-phenylvaleric acid 3-Methyl-5-oxo-5-phenylvaleric acid

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CAS Number: 2840-61-1

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) 1.99 1.66 -52.65 0 3 -1 57 205.233 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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