UCSF

ZINC62154036

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 34 Yes

Popular Name: 2-chloro-4-[3-[(7-methoxy-4-quinolyl)oxymethyl]-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]-N-methyl-benza 2-chloro-4-[3-[(7-methoxy-4-quin…

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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) 3.75 8.52 -22.56 1 9 0 104 474.908 6 ↓
Mid Mid (pH 6-8) 3.75 8.93 -49.83 2 9 1 105 475.916 6 ↓

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

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