UCSF

ZINC01676257

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: 1-(2,4-Dihydroxyphenyl)butan-1-one 1-(2,4-Dihydroxyphenyl)butan-1-one

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CAS Numbers: 4390-92-5 , [4390-92-5]

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) 2.34 2.25 -9.64 2 3 0 58 180.203 3 ↓
Hi High (pH 8-9.5) 2.34 3.26 -53.35 1 3 -1 60 179.195 3 ↓

Activity (Go SEA)

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