| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 21 | Yes |
Popular Name: 2-bromo-4-[[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]phenol 2-bromo-4-[[[(3S)-1-(2,2,2-trifl…
| 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) | 3.47 | 4.09 | -53.88 | 3 | 3 | 1 | 40 | 368.217 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 2.73 | -6.59 | 2 | 3 | 0 | 35 | 367.209 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 4.86 | -66.13 | 2 | 3 | 0 | 43 | 367.209 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
