| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 25 | Yes |
Popular Name: 4-[[[(4S)-8-fluorochroman-4-yl]amino]methyl]-5-isopropyl-N,N,2-trimethyl-pyrazol-3-amine 4-[[[(4S)-8-fluorochroman-4-yl]a…
| 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) | 2.31 | 7.85 | -33.26 | 2 | 5 | 1 | 44 | 347.458 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 7.66 | -7.81 | 1 | 5 | 0 | 42 | 346.45 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 9.17 | -50.02 | 2 | 5 | 1 | 47 | 347.458 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 9.32 | -109.86 | 3 | 5 | 2 | 48 | 348.466 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
