UCSF

ZINC69490848

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-1-[(3R)-3-methyl-4-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)piperazin-1-yl]-3-pyrazol-1-yl-propan- (2S)-1-[(3R)-3-methyl-4-([1,2,4]…

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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) 0.13 5.46 -17.13 1 9 0 88 342.407 5 ↓
Mid Mid (pH 6-8) 0.13 7.72 -62.41 2 9 1 89 343.415 5 ↓

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

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