UCSF

ZINC65563094

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 26 Yes

Popular Name: N-[[(2S)-1,4-dioxan-2-yl]methyl]-1-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methanamine N-[[(2S)-1,4-dioxan-2-yl]methyl]…

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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) 1.16 7.37 -50.22 2 6 1 66 351.43 6 ↓
Hi High (pH 8-9.5) 1.16 6.01 -11.02 1 6 0 61 350.422 6 ↓
Lo Low (pH 4.5-6) 1.16 7.82 -106.45 3 6 2 67 352.438 6 ↓

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

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