In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 21 | Yes |
Popular Name: 1-(2,5-difluorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone 1-(2,5-difluorophenyl)-2-[(4S)-4…
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) | 3.57 | 10.13 | -42.64 | 1 | 2 | 1 | 22 | 308.373 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.57 | 8.12 | -9.45 | 0 | 2 | 0 | 20 | 307.365 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.