In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 9th, 2011 | 22 | 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) | 4.29 | 9.21 | -8.34 | 1 | 3 | 0 | 47 | 296.366 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.29 | 10.2 | -55.03 | 0 | 3 | -1 | 49 | 295.358 | 3 | ↓ |