UCSF

ZINC41585847

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Popular Name: (2Z)-2-[(3-bromophenyl)methylene]-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofur (2Z)-2-[(3-bromophenyl)methylene…

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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) 4.78 10.34 -34.95 2 6 1 71 507.408 4 ↓
Hi High (pH 8-9.5) 4.78 10.76 -41.38 0 6 -1 73 505.392 4 ↓
Mid Mid (pH 6-8) 4.78 11.1 -49.95 1 6 0 74 506.4 4 ↓
Mid Mid (pH 6-8) 4.78 10 -9.12 1 6 0 70 506.4 4 ↓
Mid Mid (pH 6-8) 4.78 12.2 -50.11 2 6 1 71 507.408 4 ↓
Lo Low (pH 4.5-6) 4.78 12.55 -109.62 3 6 2 72 508.416 4 ↓

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

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