| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 15 | Yes |
Popular Name: (1S)-2-(3-methyl-1H-pyrazol-4-yl)-1-phenyl-ethanamine (1S)-2-(3-methyl-1H-pyrazol-4-yl…
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) | -0.24 | 4.16 | -46.97 | 4 | 3 | 1 | 56 | 202.281 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.24 | 4.04 | -5.78 | 3 | 3 | 0 | 55 | 201.273 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.24 | 3.98 | -6.29 | 3 | 3 | 0 | 55 | 201.273 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
