UCSF

ZINC41584906

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Popular Name: (2Z)-7-[(4-benzylpiperazin-1-yl)methyl]-6-hydroxy-2-(4-pyridylmethylene)benzofuran-3-one (2Z)-7-[(4-benzylpiperazin-1-yl)…

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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) 2.93 8.81 -44.04 2 6 1 71 428.512 5 ↓
Hi High (pH 8-9.5) 2.93 7.31 -41.34 0 6 -1 73 426.496 5 ↓
Mid Mid (pH 6-8) 2.93 9.56 -28.35 1 6 0 74 427.504 5 ↓
Mid Mid (pH 6-8) 2.93 6.55 -9.23 1 6 0 70 427.504 5 ↓
Mid Mid (pH 6-8) 2.93 8.8 -47.02 2 6 1 71 428.512 5 ↓
Lo Low (pH 4.5-6) 2.93 9.29 -103.71 3 6 2 72 429.52 5 ↓

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