UCSF

ZINC00195162

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: ethyl 4-hydroxy-3-methyl-1-benzofuran-2-carboxylate ethyl 4-hydroxy-3-methyl-1-benzo…

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CAS Number: 3781-69-9

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) 2.82 4.32 -8.32 1 4 0 60 220.224 3 ↓
Hi High (pH 8-9.5) 2.82 5.09 -41.11 0 4 -1 63 219.216 3 ↓

Activity (Go SEA)

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