| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 15 | Yes |
Popular Name: (3R,4S)-1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-piperidin-3-amine (3R,4S)-1-[(5-chlorothiadiazol-4…
| 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) | 1.12 | 0.57 | -44.91 | 3 | 4 | 1 | 57 | 247.775 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.12 | 2.79 | -113.84 | 4 | 4 | 2 | 58 | 248.783 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.12 | 2.5 | -32.4 | 3 | 4 | 1 | 56 | 247.775 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
