In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 28 | No |
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) | 2.76 | 12.16 | -12.15 | 2 | 9 | 0 | 118 | 376.376 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 12.54 | -60.56 | 3 | 9 | 1 | 122 | 377.384 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.79 | 10.69 | -38.44 | 2 | 9 | -1 | 124 | 375.368 | 4 | ↓ |