| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 18 | No |
Popular Name: (4R)-4-(2-aminoethyl)-2-[(1S,2S)-2-hydroxycycloheptyl]-5-methyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-[(1S,2S)…
| 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) | 0.52 | 1.29 | -48.52 | 4 | 5 | 1 | 81 | 254.354 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | 0.89 | -11.76 | 3 | 5 | 0 | 79 | 253.346 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | 0.84 | -10.16 | 3 | 5 | 0 | 79 | 253.346 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
