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) | 4.78 | 10.8 | -23.59 | 2 | 6 | 0 | 84 | 430.533 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.85 | 9.14 | -60.09 | 1 | 6 | -1 | 90 | 429.525 | 5 | ↓ |