In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 33 | 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) | 3.30 | 10.93 | -73.17 | 1 | 7 | 0 | 77 | 451.567 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.30 | 10.19 | -51.57 | 2 | 7 | 1 | 75 | 452.575 | 10 | ↓ |