UCSF

ZINC22919970

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 32 Yes

Popular Name: [2-ethoxy-5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)-4-piperidyl]methyl]amino]meth [2-ethoxy-5-[[[(2S)-1-ethylpyrro…

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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) 3.02 8.9 -102.47 3 6 2 51 449.68 13 ↓
Hi High (pH 8-9.5) 3.02 6.51 -40.7 2 6 1 50 448.672 13 ↓
Hi High (pH 8-9.5) 3.02 6.93 -37.83 2 6 1 50 448.672 13 ↓
Mid Mid (pH 6-8) 3.02 9.53 -84.39 3 6 2 51 449.68 13 ↓
Lo Low (pH 4.5-6) 3.02 10.81 -193.17 4 6 3 52 450.688 13 ↓

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

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