In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 22nd, 2009 | 37 | 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) | 1.91 | 8.41 | -25.54 | 1 | 10 | 0 | 120 | 500.511 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.91 | 8.87 | -72.3 | 2 | 10 | 1 | 121 | 501.519 | 7 | ↓ |