UCSF

ZINC05454338

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 24 Yes

Popular Name: 1-benzo[1,3]dioxol-5-yl-2-[(3-bromo-4-methyl-5,7,9-triazabicyclo[4.3.0]nona-2,4,8,10-tetraen-8-yl)su 1-benzo[1,3]dioxol-5-yl-2-[(3-br…

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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) 3.66 6.73 -41.56 0 6 -1 75 405.253 4 ↓
Hi High (pH 8-9.5) 3.66 7.19 -13.21 1 6 0 77 406.261 4 ↓
Lo Low (pH 4.5-6) 3.66 7.42 -43.77 2 6 1 78 407.269 4 ↓
Lo Low (pH 4.5-6) 3.66 7.9 -113.18 3 6 2 80 408.277 4 ↓

Activity (Go SEA)

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

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