In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 23 | Yes |
Popular Name: 1-[3-[(2S)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxy-propoxy]phenyl]ethanone 1-[3-[(2S)-3-(6,7-dihydro-4H-thi…
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) | 2.52 | 7.5 | -51.39 | 2 | 4 | 1 | 51 | 332.445 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 5.23 | -14.85 | 1 | 4 | 0 | 50 | 331.437 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.