UCSF

ZINC69459478

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 6-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methyl-piperazin-1-yl]-[1,2,4]triazolo[3,4-f]pyridazine 6-[(2S)-4-[(3-methoxyphenyl)meth…

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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) 2.13 8.9 -13.32 0 7 0 59 338.415 4 ↓
Mid Mid (pH 6-8) 2.13 11.14 -57.28 1 7 1 60 339.423 4 ↓

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

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