In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: 5-[[(2S)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[[(2S)-1-ethylpyrrolidin-2-yl]…
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) | 1.94 | 4.45 | -65.18 | 2 | 6 | 0 | 91 | 332.447 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 4.06 | -81.82 | 1 | 6 | -1 | 93 | 331.439 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 2.11 | -46.01 | 1 | 6 | -1 | 90 | 331.439 | 6 | ↓ |