| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2008 | 22 | Yes |
Popular Name: 4-bromo-2-[[(2S)-2-(5-ethyl-3-methyl-isoxazol-4-yl)pyrrolidin-1-yl]methyl]phenol 4-bromo-2-[[(2S)-2-(5-ethyl-3-me…
| 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) | 3.88 | 7.92 | -39.16 | 2 | 4 | 1 | 51 | 366.279 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.88 | 8.71 | -32.57 | 1 | 4 | 0 | 54 | 365.271 | 4 | ↓ |
