| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 22 | Yes |
Popular Name: (2S,3S)-N-(2H-chromen-3-ylmethyl)-3-(4-methylpyrazol-1-yl)butan-2-amine (2S,3S)-N-(2H-chromen-3-ylmethyl…
| 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) | 3.22 | 8.17 | -47.98 | 2 | 4 | 1 | 44 | 298.41 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 7.13 | -7.31 | 1 | 4 | 0 | 39 | 297.402 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
