UCSF

ZINC59417009

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 28 No

Popular Name: N,N-dimethyl-4-[(2R,5S)-5-[(5-nitro-1H-benzimidazol-2-yl)sulfanylmethyl]oxazolidin-2-yl]aniline N,N-dimethyl-4-[(2R,5S)-5-[(5-ni…

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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) 3.57 5.79 -11.79 2 8 0 99 399.476 6 ↓
Hi High (pH 8-9.5) 3.57 5.33 -36.99 1 8 -1 97 398.468 6 ↓
Mid Mid (pH 6-8) 3.57 7.76 -52.86 3 8 1 104 400.484 6 ↓
Lo Low (pH 4.5-6) 3.57 6.55 -110.01 3 8 0 100 400.484 6 ↓

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

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