| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 21 | Yes |
Popular Name: (3S)-6-bromo-3-[[(1R)-1-(o-tolyl)ethyl]amino]indolin-2-one (3S)-6-bromo-3-[[(1R)-1-(o-tolyl…
| 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) | 3.82 | 7.56 | -41.53 | 3 | 3 | 1 | 46 | 346.248 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.00 | 5.47 | -30.05 | 2 | 3 | 0 | 52 | 345.24 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.82 | 6.66 | -5.56 | 2 | 3 | 0 | 41 | 345.24 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
