In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2009 | 13 | No |
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) | 1.77 | 2.11 | -8.83 | 2 | 3 | 0 | 58 | 200.621 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.77 | 3.12 | -48.82 | 1 | 3 | -1 | 60 | 199.613 | 3 | ↓ |