UCSF

ZINC12010059

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 31 No

Popular Name: N-[5-(2-furyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-5-nitro-furan-2- N-[5-(2-furyl)-2-(4-oxo-3,5,6,7-…

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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) 1.97 9.08 -28.3 2 12 0 165 422.357 5 ↓
Mid Mid (pH 6-8) 1.97 9.96 -13.33 2 12 0 165 422.357 5 ↓
Mid Mid (pH 6-8) 2.43 8.76 -54.36 1 12 -1 168 421.349 5 ↓

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

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