In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 21 | Yes |
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) | 2.20 | 5.93 | -11.98 | 2 | 4 | 0 | 54 | 283.375 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.20 | 6.37 | -43.52 | 3 | 4 | 1 | 55 | 284.383 | 6 | ↓ |