UCSF

ZINC65514497

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 25 Yes

Popular Name: (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-isopropyl-5-methoxy-1-methyl-pyrazol-4-yl)methyl]eth (1S)-1-(2,3-dihydro-1,4-benzodio…

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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) 2.80 6.41 -44.77 2 6 1 62 346.451 6 ↓
Hi High (pH 8-9.5) 2.80 5.33 -8.2 1 6 0 58 345.443 6 ↓

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

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