| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 21 | Yes |
Popular Name: [4-fluoro-3-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]phenyl]methanamine [4-fluoro-3-[[(2R)-2-phenylpyrro…
| 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) | 3.00 | 9.33 | -103.93 | 4 | 2 | 2 | 32 | 286.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 7.18 | -4.6 | 2 | 2 | 0 | 29 | 284.378 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 7.58 | -52.38 | 3 | 2 | 1 | 31 | 285.386 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.00 | 8.93 | -32.43 | 3 | 2 | 1 | 30 | 285.386 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
