UCSF

ZINC23359592

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 Yes

Popular Name: 1-[2-[[3-[(2S)-3-(4-ethylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]methylamino]ethyl]pyrrolidin-2-one 1-[2-[[3-[(2S)-3-(4-ethylpiperaz…

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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) 0.94 5.77 -87.64 4 7 2 74 406.571 11 ↓
Hi High (pH 8-9.5) 0.94 2.14 -12.71 2 7 0 68 404.555 11 ↓
Mid Mid (pH 6-8) 0.94 3.49 -48.14 3 7 1 73 405.563 11 ↓

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