In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2005 | 27 | No |
Popular Name: 4-(2-furoyl)-3-hydroxy-5-pyridin-3-yl-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one 4-(2-furoyl)-3-hydroxy-5-pyridin…
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) | 0.56 | 6.2 | -60.4 | 0 | 7 | -1 | 99 | 360.349 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.01 | 0.06 | -54.21 | 2 | 7 | 1 | 97 | 362.365 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.01 | 0.17 | -105.15 | 3 | 7 | 2 | 99 | 363.373 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.56 | 5.38 | -16.66 | 1 | 7 | 0 | 97 | 361.357 | 5 | ↓ |