UCSF

ZINC34465129

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 16 No

Popular Name: 4-[(4-hydroxyphenyl)methyl]benzene-1,2-diol 4-[(4-hydroxyphenyl)methyl]benze…

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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) 2.45 1.17 -9.09 3 3 0 61 216.236 2 ↓
Hi High (pH 8-9.5) 2.45 1.93 -48.78 2 3 -1 64 215.228 2 ↓
Hi High (pH 8-9.5) 2.45 2.08 -49.33 2 3 -1 64 215.228 2 ↓

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