UCSF

ZINC65507785

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 25 Yes

Popular Name: 6-[[4-[1-[(2S)-2-hydroxybutyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methyl-pyrimidin-4 6-[[4-[1-[(2S)-2-hydroxybutyl]py…

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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) 0.41 3.89 -16.29 2 7 0 87 343.431 6 ↓
Mid Mid (pH 6-8) 0.41 5.01 -73.93 3 7 1 88 344.439 6 ↓
Mid Mid (pH 6-8) 0.86 3.85 -58.83 2 7 0 91 343.431 6 ↓

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

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