UCSF

ZINC19841154

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 30 Yes

Popular Name: (2S)-1-(4-ethylpiperazin-1-yl)-3-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]propan-2-ol (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) 2.61 7.1 -87.98 4 6 2 63 415.578 11 ↓
Hi High (pH 8-9.5) 2.61 3.37 -9.1 2 6 0 57 413.562 11 ↓
Mid Mid (pH 6-8) 2.61 4.79 -49.2 3 6 1 62 414.57 11 ↓

Activity (Go SEA)

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