In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 23 | No |
Popular Name: (5R)-3-hydroxy-1-(2-hydroxyethyl)-5-(3-pyridyl)-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one (5R)-3-hydroxy-1-(2-hydroxyethyl…
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) | 0.41 | 1.32 | -17.65 | 2 | 6 | 0 | 91 | 330.365 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.17 | 1.98 | -25.84 | 1 | 6 | 0 | 88 | 330.365 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 1.32 | -66.46 | 3 | 6 | 1 | 92 | 331.373 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.17 | 2.27 | -56.18 | 2 | 6 | 1 | 89 | 331.373 | 5 | ↓ |