In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 21 | Yes |
Popular Name: (3S)-1-[2-dimethylaminoethyl(propyl)sulfamoyl]piperidine-3-carboxylic (3S)-1-[2-dimethylaminoethyl(pro…
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) | 0.65 | 5.81 | -60.58 | 1 | 7 | 0 | 85 | 321.443 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.65 | 3.34 | -48.67 | 0 | 7 | -1 | 84 | 320.435 | 8 | ↓ |