| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | Yes |
Popular Name: (3S,4S)-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-amine (3S,4S)-4-methyl-1-[(4-methyl-1,…
| 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) | 0.40 | 1.19 | -54.09 | 3 | 5 | 1 | 70 | 211.289 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 0.81 | -8.13 | 2 | 5 | 0 | 68 | 210.281 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 2.93 | -48.39 | 3 | 5 | 1 | 69 | 211.289 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.40 | 3.21 | -137.47 | 4 | 5 | 2 | 71 | 212.297 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
