UCSF

ZINC41584988

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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]-6-hydroxy-4-methyl-2-(3-pyridylmethyle (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) 3.25 8.48 -53.65 2 8 1 89 486.548 5 ↓
Hi High (pH 8-9.5) 3.25 6.75 -44.78 0 8 -1 91 484.532 5 ↓
Mid Mid (pH 6-8) 3.25 6.18 -12.85 1 8 0 88 485.54 5 ↓
Mid Mid (pH 6-8) 3.25 8.43 -55.24 2 8 1 89 486.548 5 ↓
Mid Mid (pH 6-8) 3.25 9.04 -36.05 1 8 0 92 485.54 5 ↓

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

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