In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 25 | Yes |
Popular Name: [(3S)-1-(2-ethylthieno[3,2-c]pyridin-4-yl)-3-piperidyl]-morpholino-methanone [(3S)-1-(2-ethylthieno[3,2-c]pyr…
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) | 2.80 | 9.06 | -40.59 | 1 | 5 | 1 | 47 | 360.503 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 8.59 | -8.4 | 0 | 5 | 0 | 46 | 359.495 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.