UCSF

ZINC52815927

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 15 Yes

Popular Name: (3S)-N-pyridazin-3-ylquinuclidin-3-amine (3S)-N-pyridazin-3-ylquinuclidin…

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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) 0.84 5.1 -89.58 3 4 2 43 206.293 2 ↓
Hi High (pH 8-9.5) 0.84 2.48 -7.33 1 4 0 41 204.277 2 ↓
Mid Mid (pH 6-8) 0.84 5.09 -87.16 3 4 2 43 206.293 2 ↓
Mid Mid (pH 6-8) 0.84 4.92 -43.47 2 4 1 42 205.285 2 ↓

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

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