UCSF

ZINC62027719

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 20 Yes

Popular Name: N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-N'-[[(2S)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine N-[(1R)-1-(2-fluorophenyl)ethyl]…

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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) 2.23 6.7 -35.35 2 3 1 26 281.395 7 ↓
Hi High (pH 8-9.5) 2.23 4.99 -5.03 1 3 0 24 280.387 7 ↓
Mid Mid (pH 6-8) 2.23 6.41 -38.97 2 3 1 29 281.395 7 ↓
Lo Low (pH 4.5-6) 2.23 8.11 -114.75 3 3 2 30 282.403 7 ↓

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Rings

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

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