| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: (3S)-1-[(3S,4R)-4-(ethylamino)tetrahydropyran-3-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(3S,4R)-4-(ethylamino)te…
| 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) | 0.74 | 3.24 | -85.76 | 3 | 4 | 2 | 34 | 243.395 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | -0.28 | -1.55 | 1 | 4 | 0 | 28 | 241.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 2.12 | -35.91 | 2 | 4 | 1 | 29 | 242.387 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | 0.84 | -35.08 | 2 | 4 | 1 | 32 | 242.387 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
