UCSF

ZINC49545911

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 28 Yes

Popular Name: 3-(azepan-1-ylmethyl)-6-[(2-isopropyl-5-methyl-phenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiaz 3-(azepan-1-ylmethyl)-6-[(2-isop…

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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) 4.29 12.94 -37.9 1 6 1 57 400.572 6 ↓
Hi High (pH 8-9.5) 4.29 11.03 -11.74 0 6 0 56 399.564 6 ↓

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

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