| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 15 | No |
Popular Name: [(3S)-3-[(2R)-2-methylpyrrolidin-1-yl]-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-[(2R)-2-methylpyrrolidin…
| 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) | -0.53 | -1.33 | -9.91 | 2 | 4 | 0 | 63 | 232.349 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.53 | -1.02 | -57.74 | 3 | 4 | 1 | 65 | 233.357 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.53 | 0.34 | -40.48 | 3 | 4 | 1 | 65 | 233.357 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.53 | 0.79 | -135.86 | 4 | 4 | 2 | 66 | 234.365 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
