In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2009 | 25 | 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) | 2.00 | -0.8 | -44.4 | 2 | 7 | -1 | 115 | 357.729 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.00 | -0.02 | -93.18 | 1 | 7 | -2 | 118 | 356.721 | 2 | ↓ |