UCSF

ZINC34684322

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 Yes

Popular Name: (4-allylpiperazin-1-yl)-[5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-furyl]methanone (4-allylpiperazin-1-yl)-[5-[[4-(…

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Download: MOL2 SDF SMILES Flexibase

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) 2.39 9.78 -104.47 2 8 2 64 454.571 7 ↓
Hi High (pH 8-9.5) 2.39 5.25 -10.52 0 8 0 62 452.555 7 ↓
Mid Mid (pH 6-8) 2.39 7.53 -51.54 1 8 1 63 453.563 7 ↓
Mid Mid (pH 6-8) 2.39 9.76 -102.75 2 8 2 64 454.571 7 ↓

Activity (Go SEA)

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