UCSF

ZINC54931047

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 16 Yes

Popular Name: 4-[4-methyl-6-(methylamino)pyridazin-3-yl]phenol 4-[4-methyl-6-(methylamino)pyrid…

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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) 2.17 2.66 -27.13 3 4 1 59 216.264 2 ↓
Mid Mid (pH 6-8) 2.17 2.53 -10.33 2 4 0 58 215.256 2 ↓
Lo Low (pH 4.5-6) 2.17 2.7 -29.63 3 4 1 59 216.264 2 ↓

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

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