In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 16 | No |
Popular Name: 1-[[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]methyl]cyclopentanecarbaldehyde 1-[[(2S,6S)-2,6-dimethylthiomorp…
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) | 2.76 | 7.69 | -5.51 | 0 | 2 | 0 | 20 | 241.4 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 8.74 | -40.77 | 1 | 2 | 1 | 22 | 242.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.