UCSF

ZINC55099190

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 Yes

Popular Name: 2-[[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-(2-methoxyethyl)amino]methyl]-6-methyl-pyridin-3-ol 2-[[(1-ethyl-3,5-dimethyl-pyrazo…

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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) 1.32 4.68 -22.78 1 6 0 67 332.448 8 ↓
Hi High (pH 8-9.5) 1.32 4.05 -46.63 0 6 -1 66 331.44 8 ↓
Mid Mid (pH 6-8) 1.32 7.03 -40.36 2 6 1 69 333.456 8 ↓
Mid Mid (pH 6-8) 1.32 3.28 -10.87 1 6 0 63 332.448 8 ↓
Lo Low (pH 4.5-6) 1.32 5.42 -34.42 2 6 1 65 333.456 8 ↓

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

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