| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 19 | Yes |
Popular Name: (2S)-1-pyrazol-1-yl-3-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]propan-2-ol (2S)-1-pyrazol-1-yl-3-[[(4R)-4,5…
| 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) | 0.62 | 4.64 | -48.51 | 3 | 4 | 1 | 55 | 278.401 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 3.43 | -9.75 | 2 | 4 | 0 | 50 | 277.393 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
