In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 28 | No |
Popular Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-N-[2-(1-piperidyl)ethoxy]pentanamide (2S)-2-(1,3-dioxoisoindolin-2-yl…
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) | 3.17 | 11.26 | -45.52 | 2 | 7 | 1 | 82 | 388.488 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.35 | 9.48 | -58.95 | 1 | 7 | 0 | 88 | 387.48 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.35 | 10.15 | -52.24 | 1 | 7 | 0 | 88 | 387.48 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.