In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2008 | 17 | 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) | 4.99 | 11.57 | -28.82 | 1 | 2 | 1 | 8 | 243.459 | 12 | ↓ |
Lo Low (pH 4.5-6) | 4.99 | 12.66 | -109.7 | 2 | 2 | 2 | 9 | 244.467 | 12 | ↓ |