In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2010 | 20 | 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) | 2.80 | 9.55 | -6.62 | 0 | 3 | 0 | 33 | 268.36 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.80 | 10.02 | -34.29 | 1 | 3 | 1 | 34 | 269.368 | 6 | ↓ |