| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 20 | Yes |
Popular Name: 3-[(1S)-1-aminoethyl]-N-(2-pyridylmethyl)benzenesulfonamide 3-[(1S)-1-aminoethyl]-N-(2-pyrid…
| 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) | -0.92 | 1.47 | -62.87 | 4 | 5 | 1 | 87 | 292.384 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.92 | 1.15 | -13.56 | 3 | 5 | 0 | 85 | 291.376 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.92 | 1.86 | -104.48 | 5 | 5 | 2 | 88 | 293.392 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
