In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 31 | 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) | -0.11 | 2.92 | -25.72 | 3 | 11 | 0 | 144 | 463.545 | 9 | ↓ |
Hi High (pH 8-9.5) | 0.08 | 1.71 | -54.97 | 2 | 11 | -1 | 150 | 462.537 | 9 | ↓ |