UCSF

ZINC41585012

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-[(2-chlorophenyl)methylene]-6-hydrox (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) 4.74 9.69 -52.37 2 7 1 77 505.978 5 ↓
Hi High (pH 8-9.5) 4.74 8.2 -43.71 0 7 -1 78 503.962 5 ↓
Mid Mid (pH 6-8) 4.74 9.7 -51.47 2 7 1 77 505.978 5 ↓
Mid Mid (pH 6-8) 4.74 10.46 -33.27 1 7 0 79 504.97 5 ↓
Mid Mid (pH 6-8) 4.74 7.44 -10.83 1 7 0 75 504.97 5 ↓

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

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