In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 18 | Yes |
Popular Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2S,4R)-4-hydroxypyrrolidin-2-yl]methanone 3,4-dihydro-1H-isoquinolin-2-yl-…
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) | 0.31 | 2.68 | -40.41 | 3 | 4 | 1 | 57 | 247.318 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.31 | 1.38 | -10.38 | 2 | 4 | 0 | 53 | 246.31 | 1 | ↓ |