| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 19 | Yes |
Popular Name: (3S)-5-methyl-3-(2-pyrrolidin-1-ylethylamino)indolin-2-one (3S)-5-methyl-3-(2-pyrrolidin-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) | 1.53 | 4.69 | -34.41 | 3 | 4 | 1 | 46 | 260.361 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 2.24 | -7.45 | 2 | 4 | 0 | 44 | 259.353 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 3.3 | -40.37 | 3 | 4 | 1 | 49 | 260.361 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 5.83 | -115.04 | 4 | 4 | 2 | 50 | 261.369 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
