UCSF

ZINC49575244

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 16 Yes

Popular Name: 6-methyl-N-[2-(1-piperidyl)ethyl]pyridazin-3-amine 6-methyl-N-[2-(1-piperidyl)ethyl…

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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) 1.38 5.94 -44.7 2 4 1 42 221.328 4 ↓
Hi High (pH 8-9.5) 1.38 3.72 -7.28 1 4 0 41 220.32 4 ↓
Mid Mid (pH 6-8) 1.38 6.05 -86.57 3 4 2 43 222.336 4 ↓
Lo Low (pH 4.5-6) 1.38 6.11 -93.01 3 4 2 43 222.336 4 ↓

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

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