In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 28 | 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) | 3.69 | 7.52 | -10.22 | 1 | 6 | 0 | 63 | 397.548 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.69 | 10.24 | -84.26 | 3 | 6 | 2 | 66 | 399.564 | 5 | ↓ |