UCSF

ZINC69808766

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 No

Popular Name: 2-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3H-benzofuro[3,2-d]pyrimidin-4-one 2-[(3-nitro-1,2,4-triazol-1-yl)m…

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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) 1.37 6.48 -64.85 0 10 -1 139 311.237 3 ↓
Mid Mid (pH 6-8) 0.91 9.17 -31.4 1 10 0 135 312.245 3 ↓

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

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