In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2004 | 37 | 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) | 2.47 | -4.05 | -29.97 | 2 | 10 | 0 | 120 | 520.567 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.47 | -3.56 | -71.61 | 1 | 10 | -1 | 122 | 519.559 | 6 | ↓ |