In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 21 | Yes |
Popular Name: 1-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone 1-(2-methoxyphenyl)-2-[(4S)-4-me…
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) | 3.32 | 10.45 | -40.36 | 1 | 3 | 1 | 31 | 302.419 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.32 | 8.46 | -11.01 | 0 | 3 | 0 | 30 | 301.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.