UCSF

ZINC69877730

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 Yes

Popular Name: 6-[4-[(1R)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-3-methyl-[1,2,4]triazolo[3,4-f]pyridazine 6-[4-[(1R)-1-(2-fluorophenyl)eth…

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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) 2.54 9.64 -14.53 0 6 0 50 340.406 3 ↓
Mid Mid (pH 6-8) 2.54 11.45 -55.86 1 6 1 51 341.414 3 ↓

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

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