UCSF

ZINC62031674

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 Yes

Popular Name: 1-piperazin-1-yl-2-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethanone 1-piperazin-1-yl-2-[4-(pyrrolidi…

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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) 0.20 6.42 -95.18 3 5 2 41 296.459 4 ↓
Hi High (pH 8-9.5) 0.20 4.25 -37.18 2 5 1 40 295.451 4 ↓
Mid Mid (pH 6-8) 0.20 7.71 -166.61 4 5 3 46 297.467 4 ↓

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