| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2012 | 31 | Yes |
Popular Name: 2-[(1S)-3-methyl-1-[4-[2-(2-pyridyl)ethyl]piperazine-1-carbonyl]butyl]isoindolin-1-one 2-[(1S)-3-methyl-1-[4-[2-(2-pyri…
None
| 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) | 2.48 | 10.99 | -23.05 | 0 | 6 | 0 | 57 | 420.557 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.48 | 13.18 | -63.71 | 1 | 6 | 1 | 58 | 421.565 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.48 | 11.34 | -53.18 | 1 | 6 | 1 | 58 | 421.565 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.48 | 13.54 | -130.71 | 2 | 6 | 2 | 59 | 422.573 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.