| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 25 | Yes |
Popular Name: 2-[(2S)-4-[(6-chloro-2H-chromen-3-yl)methyl]-1-isobutyl-piperazin-2-yl]ethanol 2-[(2S)-4-[(6-chloro-2H-chromen-…
| 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) | 3.62 | 6.78 | -36.28 | 2 | 4 | 1 | 37 | 365.925 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 4.87 | -4.87 | 1 | 4 | 0 | 36 | 364.917 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 7.06 | -44.28 | 2 | 4 | 1 | 37 | 365.925 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
