In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 35 | 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) | 1.95 | 9.66 | -57.78 | 0 | 10 | -1 | 138 | 472.433 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.95 | 8.91 | -21.41 | 1 | 10 | 0 | 135 | 473.441 | 6 | ↓ |