In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 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) | 2.10 | 5.87 | -42.84 | 3 | 1 | 1 | 28 | 196.339 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.10 | 5.53 | -2.97 | 2 | 1 | 0 | 26 | 195.331 | 5 | ↓ |