| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: (1S,2S)-2-[[(3S)-3-methylthiomorpholin-4-yl]methyl]cycloheptanamine (1S,2S)-2-[[(3S)-3-methylthiomor…
| 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) | 2.21 | 4.88 | -48.28 | 3 | 2 | 1 | 31 | 243.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 6.4 | -117.9 | 4 | 2 | 2 | 32 | 244.448 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
