| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 21 | No |
Popular Name: (3S)-N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[3-[2-(aminomethyl)phenox…
| 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) | 0.95 | 3.44 | -118.27 | 4 | 5 | 2 | 75 | 314.451 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.95 | 0.74 | -14.36 | 2 | 5 | 0 | 73 | 312.435 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.95 | 1.17 | -51.35 | 3 | 5 | 1 | 74 | 313.443 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
