In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2005 | 23 | 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) | 0.96 | 3.4 | -47.23 | 2 | 7 | -1 | 120 | 350.353 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.96 | 4.16 | -93.93 | 1 | 7 | -2 | 122 | 349.345 | 1 | ↓ |