In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2010 | 21 | Yes |
Popular Name: N-[(R)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl(thiazol-2-yl)methyl]propan-2-amine N-[(R)-3,4-dihydro-2H-1,5-benzod…
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) | 2.39 | 6.47 | -36.45 | 2 | 4 | 1 | 48 | 305.423 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.39 | 5.62 | -6.64 | 1 | 4 | 0 | 43 | 304.415 | 4 | ↓ |