UCSF

ZINC41585003

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-4-methyl-2-[(E)-3-phenylprop (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) 5.24 11.5 -49.39 2 7 1 77 511.598 6 ↓
Hi High (pH 8-9.5) 5.24 9.78 -47.33 0 7 -1 78 509.582 6 ↓
Mid Mid (pH 6-8) 5.24 12.08 -34.18 1 7 0 79 510.59 6 ↓
Mid Mid (pH 6-8) 5.24 9.2 -12.99 1 7 0 75 510.59 6 ↓
Mid Mid (pH 6-8) 5.24 11.45 -53.13 2 7 1 77 511.598 6 ↓

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

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