UCSF

ZINC13545157

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 Yes

Popular Name: 2-(4-hydroxy-5,6-dimethyl-thieno[3,2-e]pyrimidin-2-yl)sulfanyl-N-[4-[(5-methylisoxazol-3-yl)sulfamoy 2-(4-hydroxy-5,6-dimethyl-thieno…

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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) 3.22 4.79 -66.36 2 10 -1 149 504.595 7 ↓
Hi High (pH 8-9.5) 3.67 3.48 -104.35 1 10 -2 152 503.587 7 ↓
Lo Low (pH 4.5-6) 3.22 4.78 -28.68 3 10 0 147 505.603 7 ↓

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

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