| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 19 | Yes |
Popular Name: (4S,5S)-4-amino-1-ethyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4S,5S)-4-amino-1-ethyl-5-(1-met…
| 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) | 0.69 | 5.53 | -49.78 | 3 | 4 | 1 | 51 | 260.361 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 5.28 | -9.24 | 2 | 4 | 0 | 50 | 259.353 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.69 | 6.12 | -105.67 | 4 | 4 | 2 | 52 | 261.369 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
