In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 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) | 5.30 | 11.2 | -22.44 | 1 | 8 | 0 | 88 | 551.709 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.30 | 11.83 | -53.93 | 2 | 8 | 1 | 89 | 552.717 | 10 | ↓ |