In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 33 | 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) | 3.94 | 8.47 | -10.4 | 2 | 7 | 0 | 119 | 445.567 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.94 | 8.28 | -53.11 | 3 | 7 | 1 | 121 | 446.575 | 7 | ↓ |