In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2008 | 33 | Yes |
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) | 3.97 | -1.23 | -25.46 | 1 | 5 | 0 | 64 | 473.623 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.97 | -1.12 | -53.71 | 2 | 5 | 1 | 65 | 474.631 | 5 | ↓ |