UCSF

ZINC13424595

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 28 No

Popular Name: (1Z)-1-[amino-[(4-oxo-1,3-benzothiazin-2-ylidene)amino]methylene]-3-(p-tolylsulfonyl)urea (1Z)-1-[amino-[(4-oxo-1,3-benzot…

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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) 1.86 4.69 -50.71 4 9 0 151 417.472 5 ↓
Ref Reference (pH 7) 1.86 3.91 -47.97 5 9 1 148 418.48 5 ↓
Mid Mid (pH 6-8) 2.79 3.11 -59.05 3 9 -1 153 416.464 4 ↓
Mid Mid (pH 6-8) 2.79 2.77 -21.6 4 9 0 150 417.472 4 ↓

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

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