UCSF

ZINC52831506

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 16 Yes

Popular Name: (8R)-N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine (8R)-N-pyridazin-3-yl-5-azaspiro…

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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) 1.10 4.2 -89.08 4 4 2 56 220.32 2 ↓
Mid Mid (pH 6-8) 1.10 4.02 -46.68 3 4 1 54 219.312 2 ↓
Mid Mid (pH 6-8) 1.10 4.2 -87.26 4 4 2 56 220.32 2 ↓

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Rings

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

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