UCSF

ZINC41585007

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 39 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-[(4-dimethylaminophenyl)methylene]-6 (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) 4.59 10.25 -49.16 2 8 1 80 528.629 6 ↓
Hi High (pH 8-9.5) 4.59 8.8 -49.18 0 8 -1 81 526.613 6 ↓
Mid Mid (pH 6-8) 4.59 10.26 -51.06 2 8 1 80 528.629 6 ↓
Mid Mid (pH 6-8) 4.59 11.03 -32.96 1 8 0 83 527.621 6 ↓
Mid Mid (pH 6-8) 4.59 8.01 -12.16 1 8 0 79 527.621 6 ↓
Lo Low (pH 4.5-6) 4.59 11.04 -102.63 3 8 0 81 529.637 6 ↓

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

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