In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 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) | 7.06 | 15.29 | -56.72 | 0 | 6 | -1 | 79 | 506.663 | 13 | ↓ |
Lo Low (pH 4.5-6) | 7.06 | 14.39 | -10.22 | 1 | 6 | 0 | 76 | 507.671 | 13 | ↓ |