UCSF

ZINC69813905

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 22 Yes

Popular Name: 6-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[(5-chloro-2-thienyl)methyl…

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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) 2.47 8.59 -12.54 0 6 0 50 334.836 3 ↓
Lo Low (pH 4.5-6) 2.47 10.8 -60.19 1 6 1 51 335.844 3 ↓

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Rings

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

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