In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 17 | 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) | 4.72 | 6.91 | -34.81 | 3 | 2 | 1 | 37 | 236.379 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.72 | 7.66 | -31.08 | 2 | 2 | 0 | 40 | 235.371 | 8 | ↓ |