In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2008 | 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) | 6.27 | 8.8 | -30.5 | 2 | 2 | 1 | 26 | 289.83 | 2 | ↓ |
Hi High (pH 8-9.5) | 6.27 | 8.4 | -6.41 | 1 | 2 | 0 | 25 | 288.822 | 2 | ↓ |