UCSF

ZINC58331277

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 24 Yes

Popular Name: (1S)-1-(4-imidazol-1-ylphenyl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethan (1S)-1-(4-imidazol-1-ylphenyl)-N…

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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) 1.67 8.93 -63.77 3 6 1 64 323.424 5 ↓
Hi High (pH 8-9.5) 1.67 7.83 -11.85 2 6 0 60 322.416 5 ↓
Mid Mid (pH 6-8) 1.67 9.1 -110.71 4 6 2 66 324.432 5 ↓
Lo Low (pH 4.5-6) 1.67 9.61 -157.22 5 6 3 67 325.44 5 ↓

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

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