In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2009 | 25 | No |
Popular Name: (2E)-6-hydroxy-4-methyl-2-(4-pyridylmethylene)-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one (2E)-6-hydroxy-4-methyl-2-(4-pyr…
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) | 2.42 | 7.49 | -43.66 | 2 | 5 | 1 | 68 | 337.399 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 8.26 | -30.3 | 1 | 5 | 0 | 71 | 336.391 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 7.95 | -80.88 | 3 | 5 | 2 | 69 | 338.407 | 3 | ↓ |