UCSF

ZINC00156963

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 1-(2,4,5-trihydroxyphenyl)butan-1-one 1-(2,4,5-trihydroxyphenyl)butan-…

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CAS Number: 1421-63-2

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) 1.85 0.18 -10.43 3 4 0 78 196.202 3 ↓
Hi High (pH 8-9.5) 1.85 1.18 -51.61 2 4 -1 81 195.194 3 ↓

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