In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 31 | 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) | 2.03 | -3.01 | -55.97 | 3 | 8 | 1 | 106 | 422.461 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.31 | -2.97 | -113.9 | 4 | 8 | 2 | 107 | 423.469 | 3 | ↓ |