| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 19 | No |
Popular Name: [4-[(3S)-3-morpholinopyrrolidin-1-yl]tetrahydrothiopyran-4-yl]methanamine [4-[(3S)-3-morpholinopyrrolidin-…
| 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) | 0.13 | 0.58 | -47.92 | 3 | 4 | 1 | 43 | 286.465 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.13 | 2.19 | -34.49 | 3 | 4 | 1 | 43 | 286.465 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.13 | 2.69 | -132.25 | 4 | 4 | 2 | 45 | 287.473 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.13 | -0.19 | -3.17 | 2 | 4 | 0 | 42 | 285.457 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.13 | 2.77 | -109.17 | 4 | 4 | 2 | 45 | 287.473 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
