UCSF

ZINC41585827

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Popular Name: (2Z)-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]-2-(2-thienylmethylene)benzofuran-3-o (2Z)-6-hydroxy-4-methyl-7-[[4-(2…

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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) 3.90 8.74 -34.83 2 6 1 71 434.541 4 ↓
Hi High (pH 8-9.5) 3.90 9.18 -44.08 0 6 -1 73 432.525 4 ↓
Mid Mid (pH 6-8) 3.90 9.5 -51.96 1 6 0 74 433.533 4 ↓
Mid Mid (pH 6-8) 3.90 8.42 -9.97 1 6 0 70 433.533 4 ↓
Mid Mid (pH 6-8) 3.90 10.65 -46.07 2 6 1 71 434.541 4 ↓
Lo Low (pH 4.5-6) 3.90 10.96 -104.06 3 6 2 72 435.549 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.