UCSF

ZINC20235782

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 Yes

Popular Name: (2S)-1-(4-ethylpiperazin-1-yl)-3-[2-methoxy-4-[[(2-methoxy-2-methyl-propyl)amino]methyl]phenoxy]prop (2S)-1-(4-ethylpiperazin-1-yl)-3…

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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) 1.59 5.14 -83.8 4 7 2 72 411.587 12 ↓
Mid Mid (pH 6-8) 1.59 2.83 -46.34 3 7 1 71 410.579 12 ↓

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

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