UCSF

ZINC65531923

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: 5-nitro-6-{2-[4-(2-{5-nitro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl}vinyl)-1-piperazinyl]vinyl}-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione 5-nitro-6-{2-[4-(2-{5-nitro-1,3-…

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Other Names:

MFCD01029179

Download: MOL2 SDF SMILES Flexibase

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) 2.90 8.86 -31.46 2 4 1 38 317.844 3 ↓
Hi High (pH 8-9.5) 2.90 7.62 -3.9 1 4 0 33 316.836 3 ↓
Lo Low (pH 4.5-6) 2.90 9.38 -30.04 2 4 1 34 317.844 3 ↓

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Rings

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

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