UCSF

ZINC41584882

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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-(3-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) 2.98 8.82 -45.9 2 6 1 71 428.512 5 ↓
Hi High (pH 8-9.5) 2.98 7.32 -41.35 0 6 -1 73 426.496 5 ↓
Mid Mid (pH 6-8) 2.98 9.57 -29.66 1 6 0 74 427.504 5 ↓
Mid Mid (pH 6-8) 2.98 6.56 -8.89 1 6 0 70 427.504 5 ↓
Mid Mid (pH 6-8) 2.98 8.8 -48.09 2 6 1 71 428.512 5 ↓

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