| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 16 | Yes |
Popular Name: (3S)-N,N-dimethyl-1-[(3S,4S)-4-(methylamino)tetrahydropyran-3-yl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[(3S,4S)-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) | 0.37 | 3.08 | -87.67 | 3 | 4 | 2 | 34 | 229.368 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | -0.9 | -2.2 | 1 | 4 | 0 | 28 | 227.352 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | 1.49 | -33.01 | 2 | 4 | 1 | 29 | 228.36 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | 0.69 | -35.28 | 2 | 4 | 1 | 32 | 228.36 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
