UCSF

ZINC65314460

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 29 Yes

Popular Name: N-[(4-dimethylaminophenyl)methyl]-N'-(5-methoxy-[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) 1.77 7.75 -17.76 2 9 0 104 396.451 7 ↓
Hi High (pH 8-9.5) 1.78 7.21 -65.29 1 9 -1 107 395.443 8 ↓
Lo Low (pH 4.5-6) 1.77 8.51 -93.61 3 9 0 105 397.459 7 ↓

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

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