In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2004 | 35 | 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) | 5.58 | 9.97 | -21.83 | 2 | 7 | 0 | 93 | 507.637 | 7 | ↓ |
Hi High (pH 8-9.5) | 6.03 | 8.74 | -50.95 | 1 | 7 | -1 | 96 | 506.629 | 7 | ↓ |