UCSF

ZINC71589663

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 23 Yes

Popular Name: 4-ethyl-6-[3-(4-pyridyl)azetidin-1-yl]-2-pyrrolidin-1-yl-pyrimidine 4-ethyl-6-[3-(4-pyridyl)azetidin…

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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) 3.25 12.01 -27.81 1 5 1 46 310.425 4 ↓
Hi High (pH 8-9.5) 3.25 11.71 -12.18 0 5 0 45 309.417 4 ↓
Mid Mid (pH 6-8) 3.25 12.47 -73.56 2 5 2 48 311.433 4 ↓

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

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