UCSF

ZINC41585834

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

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

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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) 3.93 10.42 -40.44 2 9 1 117 473.509 5 ↓
Hi High (pH 8-9.5) 3.93 10.85 -41.31 0 9 -1 118 471.493 5 ↓
Mid Mid (pH 6-8) 3.93 11.19 -52.4 1 9 0 120 472.501 5 ↓
Mid Mid (pH 6-8) 3.93 10.08 -12 1 9 0 116 472.501 5 ↓
Mid Mid (pH 6-8) 3.93 12.28 -58.51 2 9 1 117 473.509 5 ↓
Lo Low (pH 4.5-6) 3.93 12.62 -120.86 3 9 2 118 474.517 5 ↓

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

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