In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 19 | Yes |
Popular Name: 2-fluoro-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]aniline 2-fluoro-4-[[(4S)-4-methyl-6,7-d…
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) | 3.14 | 7.9 | -38.46 | 3 | 2 | 1 | 30 | 277.388 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.14 | 5.81 | -5.28 | 2 | 2 | 0 | 29 | 276.38 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.