| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: (3S)-5-chloro-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-5-chloro-3-[[(1S)-1-(2-pyri…
| 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) | 2.11 | 5.3 | -35.55 | 3 | 4 | 1 | 59 | 288.758 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 4.09 | -8.25 | 2 | 4 | 0 | 54 | 287.75 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 4.5 | -36.63 | 3 | 4 | 1 | 55 | 288.758 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
