| 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]-5-methyl-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) | 2.14 | 4.58 | -38.08 | 3 | 4 | 1 | 49 | 286.399 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 5.78 | -35.92 | 3 | 4 | 1 | 46 | 286.399 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 3.54 | -6.76 | 2 | 4 | 0 | 44 | 285.391 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 6.86 | -107.12 | 4 | 4 | 2 | 50 | 287.407 | 2 | ↓ |
