In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2006 | 20 | 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) | 3.53 | 8.36 | -41.92 | 1 | 3 | 1 | 23 | 296.818 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.53 | 6.44 | -3.33 | 0 | 3 | 0 | 22 | 295.81 | 5 | ↓ |