UCSF

ZINC41585022

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-(2-furylmethylene)-6-hydroxy-benzofu (2Z)-7-[[4-(1,3-benzodioxol-5-yl…

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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) 3.37 8.32 -54.06 2 8 1 90 461.494 5 ↓
Hi High (pH 8-9.5) 3.37 6.65 -48.3 0 8 -1 91 459.478 5 ↓
Mid Mid (pH 6-8) 3.37 8.36 -48.23 2 8 1 90 461.494 5 ↓
Mid Mid (pH 6-8) 3.37 8.94 -34.79 1 8 0 93 460.486 5 ↓
Mid Mid (pH 6-8) 3.37 6.07 -14.5 1 8 0 89 460.486 5 ↓

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

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