UCSF

ZINC55060913

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 Yes

Popular Name: N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-methoxy-ethanamin N-(2,1,3-benzoxadiazol-4-ylmethy…

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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) 2.23 5.34 -17.78 0 7 0 69 343.431 8 ↓
Lo Low (pH 4.5-6) 2.23 7.45 -52.74 1 7 1 70 344.439 8 ↓

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

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