| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | Yes |
Popular Name: 3-[(1S)-1-aminoethyl]-N-[(6-methyl-3-pyridyl)methyl]benzenesulfonamide 3-[(1S)-1-aminoethyl]-N-[(6-meth…
| 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) | -0.94 | 2.1 | -57.75 | 4 | 5 | 1 | 87 | 306.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.94 | 1.8 | -11.17 | 3 | 5 | 0 | 85 | 305.403 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.94 | 2.54 | -92.79 | 5 | 5 | 2 | 88 | 307.419 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
