In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 37 | 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) | 4.19 | 13.86 | -72.76 | 1 | 8 | 0 | 91 | 504.631 | 12 | ↓ |
Lo Low (pH 4.5-6) | 4.19 | 13.11 | -50.1 | 2 | 8 | 1 | 89 | 505.639 | 12 | ↓ |