UCSF

ZINC22851390

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 30 Yes

Popular Name: 1-[3-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)-4-piperidyl]methyl]amino]methyl]phen 1-[3-[[[(2S)-1-ethylpyrrolidin-2…

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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) 3.20 11.02 -102.44 2 5 2 38 417.638 11 ↓
Hi High (pH 8-9.5) 3.20 8.63 -39.42 1 5 1 37 416.63 11 ↓
Hi High (pH 8-9.5) 3.20 9.31 -42.91 1 5 1 37 416.63 11 ↓
Mid Mid (pH 6-8) 3.20 12.61 -90.42 2 5 2 38 417.638 11 ↓
Lo Low (pH 4.5-6) 3.20 13.47 -200.4 3 5 3 40 418.646 11 ↓

Activity (Go SEA)

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

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