In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2009 | 27 | 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) | 4.53 | 6.75 | -17.07 | 0 | 5 | 0 | 67 | 408.589 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.53 | 7.91 | -42.27 | 1 | 5 | 1 | 68 | 409.597 | 5 | ↓ |