In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 1st, 2008 | 31 | 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) | 3.06 | 1.79 | -42.49 | 1 | 6 | 1 | 68 | 414.485 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.06 | 1.9 | -104.09 | 2 | 6 | 2 | 69 | 415.493 | 5 | ↓ |