UCSF

ZINC41585264

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2Z)-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-hydroxy-4-methyl-2-(4-pyridylmethylene)benzofura (2Z)-7-[[4-(3-chlorophenyl)piper…

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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) 4.26 8.94 -10.24 1 6 0 70 461.949 4 ↓
Mid Mid (pH 6-8) 4.26 11.75 -31.74 1 6 0 74 461.949 4 ↓
Mid Mid (pH 6-8) 4.26 11.18 -52.6 2 6 1 71 462.957 4 ↓
Mid Mid (pH 6-8) 4.26 9.53 -41.57 0 6 -1 73 460.941 4 ↓
Lo Low (pH 4.5-6) 4.26 11.66 -111.91 3 6 2 72 463.965 4 ↓

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

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