In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2010 | 32 | No |
Popular Name: 4-[2-(4-fluorophenyl)-4-(1-octyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-3-yl]pyridine 4-[2-(4-fluorophenyl)-4-(1-octyl…
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) | 6.90 | 16.89 | -40.53 | 2 | 3 | 1 | 33 | 432.607 | 10 | ↓ |
Hi High (pH 8-9.5) | 6.90 | 14.64 | -6.76 | 1 | 3 | 0 | 32 | 431.599 | 10 | ↓ |
Lo Low (pH 4.5-6) | 6.90 | 17.37 | -93 | 3 | 3 | 2 | 34 | 433.615 | 10 | ↓ |