UCSF

ZINC13682602

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 Yes

Popular Name: 4-[[[2-[[(1R)-1-(hydroxymethyl)-2-methyl-propyl]amino]-9-isopropyl-purin-6-yl]amino]methyl]benzenesu 4-[[[2-[[(1R)-1-(hydroxymethyl)-…

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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) 2.58 4.46 -17.85 5 10 0 148 447.565 9 ↓
Lo Low (pH 4.5-6) 2.58 5.46 -40.82 6 10 1 149 448.573 9 ↓
Lo Low (pH 4.5-6) 2.58 5.56 -35.97 6 10 1 149 448.573 9 ↓

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

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