In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2008 | 28 | No |
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) | 5.53 | 8.7 | -21.44 | 2 | 6 | 0 | 84 | 509.198 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.99 | 6.81 | -54.95 | 1 | 6 | -1 | 87 | 508.19 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.99 | 7.08 | -41.68 | 1 | 6 | -1 | 87 | 508.19 | 5 | ↓ |