In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 22 | No |
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) | 4.88 | 10.13 | -50.34 | 0 | 4 | -1 | 62 | 296.346 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.88 | 10.48 | -63.1 | 1 | 4 | 0 | 63 | 297.354 | 7 | ↓ |