| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 19 | Yes |
Popular Name: (3S)-3-[[(1S)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-3-[[(1S)-1-(4-pyridyl)ethyl…
| 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) | 1.34 | 4.73 | -44.55 | 3 | 4 | 1 | 59 | 254.313 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 3.52 | -7.94 | 2 | 4 | 0 | 54 | 253.305 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 5.06 | -100.07 | 4 | 4 | 2 | 60 | 255.321 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
