| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 19 | Yes |
Popular Name: (3S)-N,N-diethyl-1-[(3S,4S)-4-(ethylamino)tetrahydropyran-3-yl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[(3S,4S)-4-(e…
| 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) | 1.50 | 4.95 | -90.07 | 3 | 4 | 2 | 34 | 271.449 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | 3.39 | -31.72 | 2 | 4 | 1 | 29 | 270.441 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | 2.8 | -34.03 | 2 | 4 | 1 | 32 | 270.441 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.50 | 1.3 | -1.47 | 1 | 4 | 0 | 28 | 269.433 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
