| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | No |
Popular Name: (2S)-2-(2-furyl)-2-[(3R)-3-methylthiomorpholin-4-yl]ethanamine (2S)-2-(2-furyl)-2-[(3R)-3-methy…
| 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) | 0.70 | 4.17 | -29.35 | 3 | 3 | 1 | 44 | 227.353 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.70 | 2.93 | -49.12 | 3 | 3 | 1 | 44 | 227.353 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.70 | 4.61 | -126.16 | 4 | 3 | 2 | 45 | 228.361 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
