UCSF

ZINC40544854

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 36 No

Popular Name: (2S)-2-[[3-(benzotriazol-2-yl)-2-methoxy-5-methyl-phenyl]sulfonylamino]-5-[(N-nitrocarbamimidoyl)ami (2S)-2-[[3-(benzotriazol-2-yl)-2…

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Vendors

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) -0.33 6.94 -63.76 4 15 -1 222 519.52 12 ↓
Mid Mid (pH 6-8) -0.33 6.36 -103.84 3 15 -2 225 518.512 12 ↓

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

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