UCSF

ZINC19219238

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 28 Yes

Popular Name: 1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-N-(o-tolylmethyl)methanam 1-[(2R)-1-ethylpyrrolidin-2-yl]-…

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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) 3.73 11.92 -90.31 2 4 2 21 389.628 10 ↓
Hi High (pH 8-9.5) 3.73 9.54 -35.17 1 4 1 20 388.62 10 ↓
Hi High (pH 8-9.5) 3.73 10.12 -29.07 1 4 1 20 388.62 10 ↓
Mid Mid (pH 6-8) 3.73 11.93 -88.08 2 4 2 21 389.628 10 ↓
Lo Low (pH 4.5-6) 3.73 14.13 -197.5 3 4 3 23 390.636 10 ↓

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

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