UCSF

ZINC52831564

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-[[(2S)-2-piperidyl]methyl]pyridazin-3-amine N-[[(2S)-2-piperidyl]methyl]pyri…

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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) 0.87 3.61 -95.66 4 4 2 56 194.282 3 ↓
Mid Mid (pH 6-8) 0.87 3.61 -89.75 4 4 2 56 194.282 3 ↓
Mid Mid (pH 6-8) 0.87 3.44 -42.74 3 4 1 54 193.274 3 ↓

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Rings

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

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