UCSF

ZINC08980649

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 23 Yes

Popular Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7-(2-furyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7 3-[(5-amino-1H-1,2,4-triazol-3-y…

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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) 1.49 6.56 -18.46 4 8 0 126 346.397 4 ↓
Hi High (pH 8-9.5) 1.94 5.42 -55.85 3 8 -1 130 345.389 4 ↓

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

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