In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 18 | 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) | 2.14 | 4.63 | -12.32 | 2 | 4 | 0 | 66 | 247.294 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.14 | 5.63 | -56.44 | 1 | 4 | -1 | 69 | 246.286 | 2 | ↓ |