UCSF

ZINC41585845

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2Z)-2-[(3-fluorophenyl)methylene]-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofu (2Z)-2-[(3-fluorophenyl)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) 4.14 9.78 -35.63 2 6 1 71 446.502 4 ↓
Hi High (pH 8-9.5) 4.14 10.21 -41.41 0 6 -1 73 444.486 4 ↓
Mid Mid (pH 6-8) 4.14 10.55 -50.27 1 6 0 74 445.494 4 ↓
Mid Mid (pH 6-8) 4.14 9.44 -9.44 1 6 0 70 445.494 4 ↓
Mid Mid (pH 6-8) 4.14 11.64 -50.93 2 6 1 71 446.502 4 ↓
Lo Low (pH 4.5-6) 4.14 11.98 -110.57 3 6 2 72 447.51 4 ↓

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

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