| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: (3S)-5-bromo-3-[[(1R)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-5-bromo-3-[[(1R)-1-(2-pyrid…
| 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) | 2.24 | 4.29 | -8.31 | 2 | 4 | 0 | 54 | 332.201 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 5.51 | -32.67 | 3 | 4 | 1 | 59 | 333.209 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 4.64 | -34.65 | 3 | 4 | 1 | 55 | 333.209 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
