In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 34 | 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) | 4.44 | 15.24 | -11.73 | 0 | 6 | 0 | 53 | 473.543 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.44 | 15.62 | -31.48 | 1 | 6 | 1 | 54 | 474.551 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.44 | 15.6 | -33.68 | 1 | 6 | 1 | 54 | 474.551 | 4 | ↓ |