In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2009 | 25 | 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) | 7.67 | 15.94 | -109.79 | 2 | 2 | 2 | 9 | 352.651 | 12 | ↓ |
Hi High (pH 8-9.5) | 7.67 | 15.53 | -27.7 | 1 | 2 | 1 | 8 | 351.643 | 12 | ↓ |