| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 21 | No |
Popular Name: (3R)-N-[(2S)-4-methyl-2-morpholino-pentyl]-1,1-dioxo-thian-3-amine (3R)-N-[(2S)-4-methyl-2-morpholi…
| 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) | 1.40 | 1.97 | -60.03 | 2 | 5 | 1 | 63 | 319.491 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 0.92 | -11.19 | 1 | 5 | 0 | 59 | 318.483 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.40 | 3.71 | -146.45 | 3 | 5 | 2 | 64 | 320.499 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
