UCSF

ZINC67514114

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 Yes

Popular Name: (3S)-3-[[4-(2-amino-6-methyl-pyrimidin-4-yl)piperazin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piper (3S)-3-[[4-(2-amino-6-methyl-pyr…

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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) -0.46 5.89 -30.74 4 9 1 109 379.485 6 ↓
Mid Mid (pH 6-8) -0.46 5.44 -13.76 3 9 0 108 378.477 6 ↓
Mid Mid (pH 6-8) -0.46 5.81 -28.12 4 9 1 109 379.485 6 ↓
Lo Low (pH 4.5-6) -0.46 6.43 -35.25 4 9 1 109 379.485 6 ↓
Lo Low (pH 4.5-6) -0.46 6.75 -80.12 5 9 2 110 380.493 6 ↓
Lo Low (pH 4.5-6) -0.46 6.88 -74.85 5 9 2 110 380.493 6 ↓

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

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