UCSF

ZINC65504924

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 22 No

Popular Name: N-[(3R,5S)-5-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide N-[(3R,5S)-5-(hydroxymethyl)-1-m…

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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) 0.96 -0.05 -42.01 3 7 1 97 343.454 4 ↓
Hi High (pH 8-9.5) 0.96 -2.54 -15.66 2 7 0 95 342.446 4 ↓
Hi High (pH 8-9.5) 0.96 -0.31 -43.36 2 7 0 99 342.446 4 ↓

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

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