| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2009 | 21 | Yes |
Popular Name: 2-[[(2S)-2-(3-isopropylisoxazol-5-yl)pyrrolidin-1-yl]methyl]phenol 2-[[(2S)-2-(3-isopropylisoxazol-…
| 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) | 3.67 | 7.71 | -39.31 | 2 | 4 | 1 | 51 | 287.383 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 5.37 | -9.49 | 1 | 4 | 0 | 49 | 286.375 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.