In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | Yes |
Popular Name: 1-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-piperazin-1-yl-ethanone 1-[(4S)-4-cyclopropyl-6,7-dihydr…
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) | 1.31 | 5.71 | -44.17 | 2 | 4 | 1 | 40 | 306.455 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.31 | 4.35 | -9.59 | 1 | 4 | 0 | 36 | 305.447 | 3 | ↓ |