| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 19 | Yes |
Popular Name: (3S)-3-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)-1,2,3,4-tetrahydroquinoline (3S)-3-(4-ethyl-3,5-dimethyl-pyr…
| 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) | 3.14 | 7.76 | -5.9 | 1 | 3 | 0 | 30 | 255.365 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.14 | 7.89 | -26.91 | 2 | 3 | 1 | 31 | 256.373 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
