In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2009 | 27 | Yes |
Popular Name: 4-[2-(4-fluorophenyl)-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrol-3-yl]pyridine 4-[2-(4-fluorophenyl)-4-(1-propy…
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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) | 4.32 | 12.95 | -40.54 | 2 | 3 | 1 | 33 | 362.472 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.32 | 10.58 | -8.22 | 1 | 3 | 0 | 32 | 361.464 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.32 | 13.41 | -93.48 | 3 | 3 | 2 | 34 | 363.48 | 5 | ↓ |