| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 18 | No |
Popular Name: (3S)-1-[(3S)-3-(aminomethyl)tetrahydrothiopyran-3-yl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[(3S)-3-(aminomethyl)tetr…
| 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) | 1.03 | 4.57 | -97.86 | 4 | 3 | 2 | 35 | 273.49 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.03 | 1.6 | -1.18 | 2 | 3 | 0 | 32 | 271.474 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.03 | 2.43 | -39.3 | 3 | 3 | 1 | 34 | 272.482 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
