| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 21 | Yes |
Popular Name: (3S)-3-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-4-bromo-indolin-2-one (3S)-3-[[(1S,8aR)-1,2,3,5,6,7,8,…
| 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) | 2.48 | 4.59 | -30.76 | 3 | 4 | 1 | 49 | 351.268 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 3.42 | -6.57 | 2 | 4 | 0 | 44 | 350.26 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 5.66 | -32.77 | 3 | 4 | 1 | 46 | 351.268 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.48 | 6.84 | -95.36 | 4 | 4 | 2 | 50 | 352.276 | 2 | ↓ |
