UCSF

ZINC41585874

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2Z)-2-[(4-chlorophenyl)methylene]-6-hydroxy-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofuran-3-one (2Z)-2-[(4-chlorophenyl)methylen…

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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) 4.30 9.85 -36.5 2 6 1 71 448.93 4 ↓
Hi High (pH 8-9.5) 4.30 10.15 -40.87 0 6 -1 73 446.914 4 ↓
Mid Mid (pH 6-8) 4.30 12.12 -106.69 3 6 2 72 449.938 4 ↓
Mid Mid (pH 6-8) 4.30 9.56 -11.01 1 6 0 70 447.922 4 ↓
Lo Low (pH 4.5-6) 4.30 11.8 -48.35 2 6 1 71 448.93 4 ↓

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

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