UCSF

ZINC69683940

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 15 Yes

Popular Name: (3S)-N-(6-methylpyridazin-3-yl)azepan-3-amine (3S)-N-(6-methylpyridazin-3-yl)a…

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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) 0.77 3.74 -93.61 4 4 2 56 208.309 2 ↓
Mid Mid (pH 6-8) 0.77 3.56 -49.98 3 4 1 54 207.301 2 ↓
Mid Mid (pH 6-8) 0.77 3.68 -88.31 4 4 2 56 208.309 2 ↓

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Rings

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

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