UCSF

ZINC22991921

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 27 Yes

Popular Name: 3-(ethylsulfonylamino)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide 3-(ethylsulfonylamino)-N-methyl-…

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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) 0.80 3.85 -24.04 2 8 0 112 406.489 6 ↓
Hi High (pH 8-9.5) 1.26 2.95 -101.24 0 8 -2 117 404.473 6 ↓
Mid Mid (pH 6-8) 0.80 3.9 -56.82 1 8 -1 114 405.481 6 ↓

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

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