| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (3S)-1-[[4-(aminomethyl)tetrahydropyran-4-yl]methyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[[4-(aminomethyl)tetrahyd…
| 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) | 0.51 | 3.4 | -90.95 | 4 | 4 | 2 | 45 | 271.449 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.51 | 1.34 | -45.46 | 3 | 4 | 1 | 43 | 270.441 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.51 | 5.1 | -202.91 | 5 | 4 | 3 | 46 | 272.457 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
