| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 17 | No |
Popular Name: (3S)-1-[(3S)-3-(aminomethyl)tetrahydrothiophen-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) | 0.76 | 4.25 | -103.52 | 4 | 3 | 2 | 35 | 259.463 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 1.22 | -1.99 | 2 | 3 | 0 | 32 | 257.447 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 2.04 | -46.06 | 3 | 3 | 1 | 34 | 258.455 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
