In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 32 | 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) | 2.04 | 1.65 | -12.95 | 3 | 9 | 0 | 119 | 439.516 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.04 | 3.94 | -41.25 | 4 | 9 | 1 | 120 | 440.524 | 8 | ↓ |