In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 27 | 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) | 0.87 | 5.03 | -48.97 | 1 | 8 | -1 | 100 | 387.441 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.42 | 6.08 | -14.91 | 2 | 8 | 0 | 96 | 388.449 | 3 | ↓ |