| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 14 | No |
Popular Name: (1S,2R)-2-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]cyclopentanamine (1S,2R)-2-[(2S,6S)-2,6-dimethylt…
| 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) | 1.21 | 5.97 | -30.53 | 3 | 2 | 1 | 30 | 215.386 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.21 | 5.12 | -42.51 | 3 | 2 | 1 | 31 | 215.386 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.21 | 4.8 | -1.28 | 2 | 2 | 0 | 29 | 214.378 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.21 | 6.34 | -118.51 | 4 | 2 | 2 | 32 | 216.394 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
