In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 27 | Yes |
Popular Name: 2-methoxy-1-[(2S)-2-(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)azepan-1-yl]ethanone 2-methoxy-1-[(2S)-2-(1-thieno[3,…
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) | 3.03 | 10.49 | -13.08 | 0 | 6 | 0 | 59 | 388.537 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 10.94 | -31.25 | 1 | 6 | 1 | 60 | 389.545 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.