| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | Yes |
Popular Name: (4R,5S)-4-amino-1-methyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5S)-4-amino-1-methyl-5-(1-me…
| 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) | 0.31 | 4.35 | -59.58 | 3 | 4 | 1 | 51 | 246.334 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | 4.06 | -8.39 | 2 | 4 | 0 | 50 | 245.326 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.31 | 4.93 | -108.44 | 4 | 4 | 2 | 52 | 247.342 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
