UCSF

ZINC52831039

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-[(3S)-1-methyl-3-piperidyl]pyridazin-3-amine N-[(3S)-1-methyl-3-piperidyl]pyr…

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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) 0.61 4.74 -88.11 3 4 2 43 194.282 2 ↓
Hi High (pH 8-9.5) 0.61 2.19 -6.73 1 4 0 41 192.266 2 ↓
Mid Mid (pH 6-8) 0.61 4.73 -85.5 3 4 2 43 194.282 2 ↓
Mid Mid (pH 6-8) 0.61 4.56 -44.19 2 4 1 42 193.274 2 ↓

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

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