| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: [(2R,3S)-4-isopropyl-3-(3-thienyl)morpholin-2-yl]methanamine [(2R,3S)-4-isopropyl-3-(3-thieny…
| 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) | 0.82 | 1.95 | -39.94 | 3 | 3 | 1 | 40 | 241.38 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.82 | 1.57 | -2.25 | 2 | 3 | 0 | 38 | 240.372 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.82 | 3.61 | -103.38 | 4 | 3 | 2 | 41 | 242.388 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
