| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: (3S,4S)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-piperidin-3-amine (3S,4S)-1-[(4,5-dimethyl-1,2,4-t…
| 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) | -0.80 | 2.84 | -10.44 | 2 | 5 | 0 | 60 | 223.324 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.80 | 3.22 | -45.04 | 3 | 5 | 1 | 62 | 224.332 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.80 | 4.91 | -44.16 | 3 | 5 | 1 | 61 | 224.332 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.80 | 5.19 | -123.37 | 4 | 5 | 2 | 63 | 225.34 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
