UCSF

ZINC65538855

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: N-[(1S)-1-ethyl-2-methyl-propyl]-3-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]propanamide N-[(1S)-1-ethyl-2-methyl-propyl]…

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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) 2.44 6.61 -13.58 2 6 0 88 342.443 7 ↓
Hi High (pH 8-9.5) 2.90 4.81 -51.15 1 6 -1 91 341.435 7 ↓
Lo Low (pH 4.5-6) 2.44 6.79 -51.75 3 6 1 89 343.451 7 ↓

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

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