UCSF

ZINC69807763

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 25 No

Popular Name: 3-[2-[(3S)-3-methyl-4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]ethyl]imidazolidine-2,4-d 3-[2-[(3S)-3-methyl-4-([1,2,4]tr…

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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) -0.43 4.64 -18.96 1 10 0 99 344.379 4 ↓
Mid Mid (pH 6-8) -0.43 6.85 -59.58 2 10 1 100 345.387 4 ↓

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

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