UCSF

ZINC52831540

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S,2R)-N1-pyridazin-3-ylcyclohexane-1,2-diamine (1S,2R)-N1-pyridazin-3-ylcyclohe…

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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) 0.45 2.69 -102.03 5 4 2 67 194.282 2 ↓
Mid Mid (pH 6-8) 0.45 2.69 -97.41 5 4 2 67 194.282 2 ↓
Mid Mid (pH 6-8) 0.45 2.52 -50.76 4 4 1 65 193.274 2 ↓

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

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