UCSF

ZINC15403616

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2008 32 Yes

Popular Name: 1-(2-pyridyl)-4-[[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine 1-(2-pyridyl)-4-[[4-[[4-(2-pyrid…

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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) 2.92 8.84 -66.87 2 6 2 41 430.6 6 ↓
Hi High (pH 8-9.5) 2.92 8.26 -9.37 0 6 0 39 428.584 6 ↓
Hi High (pH 8-9.5) 2.92 8.55 -34.65 1 6 1 40 429.592 6 ↓
Mid Mid (pH 6-8) 2.92 12.9 -95.02 2 6 2 41 430.6 6 ↓
Mid Mid (pH 6-8) 2.92 10.86 -78.64 2 6 2 41 430.6 6 ↓
Lo Low (pH 4.5-6) 2.92 13.18 -163.04 3 6 3 42 431.608 6 ↓

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