In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 36 | 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) | 3.56 | 11.17 | -20.13 | 1 | 9 | 0 | 111 | 494.536 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.56 | 11.62 | -51.13 | 2 | 9 | 1 | 113 | 495.544 | 4 | ↓ |