In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 39 | 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) | 6.18 | 12.32 | -60.59 | 1 | 7 | -1 | 97 | 528.625 | 13 | ↓ |
Lo Low (pH 4.5-6) | 6.18 | 11.55 | -19.11 | 2 | 7 | 0 | 94 | 529.633 | 13 | ↓ |