In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2011 | 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) | 0.93 | 2.81 | -58.52 | 2 | 7 | -1 | 115 | 321.419 | 13 | ↓ |
Lo Low (pH 4.5-6) | 0.93 | 0.84 | -21.79 | 3 | 7 | 0 | 113 | 322.427 | 13 | ↓ |