| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | No |
Popular Name: (1S,2R)-2-[(3S)-3-methylthiomorpholin-4-yl]cycloheptanamine (1S,2R)-2-[(3S)-3-methylthiomorp…
| 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) | 1.83 | 5.82 | -32.5 | 3 | 2 | 1 | 30 | 229.413 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 3.85 | -40.24 | 3 | 2 | 1 | 31 | 229.413 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 3.82 | -1.49 | 2 | 2 | 0 | 29 | 228.405 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 5.76 | -112.91 | 4 | 2 | 2 | 32 | 230.421 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
