In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2009 | 25 | 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) | 2.93 | 5.84 | -16.99 | 0 | 5 | 0 | 67 | 400.953 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.93 | 6.99 | -47.43 | 1 | 5 | 1 | 68 | 401.961 | 4 | ↓ |