In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 22 | 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) | 4.18 | 8.33 | -56.57 | 1 | 4 | -1 | 61 | 296.346 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.18 | 7.22 | -10.99 | 2 | 4 | 0 | 59 | 297.354 | 7 | ↓ |