In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 18 | Yes |
Popular Name: 3-fluoro-4-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]aniline 3-fluoro-4-[(3S)-3-pyrrolidin-1-…
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) | 1.76 | 6.85 | -34.2 | 3 | 3 | 1 | 34 | 250.341 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 4.45 | -5.04 | 2 | 3 | 0 | 32 | 249.333 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.