| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 19 | No |
Popular Name: (1S)-1-[1-[2-(4-nitrophenyl)ethyl]pyrazol-4-yl]ethanamine (1S)-1-[1-[2-(4-nitrophenyl)ethy…
| 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) | -0.06 | 6.36 | -52.02 | 3 | 6 | 1 | 91 | 261.305 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 6.02 | -10.02 | 2 | 6 | 0 | 90 | 260.297 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
