UCSF

ZINC65314442

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 27 Yes

Popular Name: N-[(4-dimethylaminophenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-[(4-dimethylaminophenyl)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) 1.59 8.67 -15.65 2 8 0 95 366.425 6 ↓
Hi High (pH 8-9.5) 1.60 8.25 -61.97 1 8 -1 98 365.417 7 ↓
Lo Low (pH 4.5-6) 1.59 9.44 -30.52 3 8 0 96 367.433 6 ↓

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

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