| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 21 | Yes |
Popular Name: (4S,5R)-4-amino-1-isobutyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4S,5R)-4-amino-1-isobutyl-5-(1-…
| 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) | 1.43 | 6.74 | -58.03 | 3 | 4 | 1 | 51 | 288.415 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 6.45 | -9.54 | 2 | 4 | 0 | 50 | 287.407 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.43 | 7.35 | -105.02 | 4 | 4 | 2 | 52 | 289.423 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
