In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 2nd, 2010 | 39 | 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) | 0.65 | 7.18 | -73.64 | 3 | 10 | 1 | 110 | 538.669 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.65 | 7.73 | -121.65 | 4 | 10 | 2 | 111 | 539.677 | 8 | ↓ |