In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 15 | 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) | 2.36 | 5.07 | -104.24 | 4 | 3 | 2 | 41 | 218.385 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 3.57 | -33.15 | 3 | 3 | 1 | 37 | 217.377 | 10 | ↓ |