UCSF

ZINC62615032

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 17 Yes

Popular Name: 4-[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridyl]morpholine 4-[3-(4,5-dihydro-1H-imidazol-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) -0.20 4.21 -30.37 2 5 1 51 233.295 2 ↓
Hi High (pH 8-9.5) -0.20 3.75 -7.81 1 5 0 50 232.287 2 ↓
Lo Low (pH 4.5-6) -0.20 4.66 -87.88 3 5 2 53 234.303 2 ↓

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Rings

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

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