In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 25th, 2006 | 26 | 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) | 2.62 | 5.65 | -10.54 | 2 | 5 | 0 | 101 | 351.36 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 3.73 | -121.54 | 3 | 5 | 2 | 101 | 353.376 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.62 | 5.46 | -51.99 | 3 | 5 | 1 | 102 | 352.368 | 1 | ↓ |