| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 19 | No |
Popular Name: (E)-3-[1,3-dimethyl-5-[methyl-[(3R)-tetrahydrothiophen-3-yl]amino]pyrazol-4-yl]prop-2-enoic (E)-3-[1,3-dimethyl-5-[methyl-[(…
| 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) | 1.20 | 7.08 | -59.83 | 1 | 5 | 0 | 62 | 281.381 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 6.96 | -52.93 | 0 | 5 | -1 | 61 | 280.373 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
