In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 31 | 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) | 3.45 | 11.11 | -18.02 | 0 | 6 | 0 | 64 | 429.549 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.45 | 12.04 | -36.41 | 1 | 6 | 1 | 65 | 430.557 | 4 | ↓ |