In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 31 | 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) | 3.04 | 9.53 | -69.98 | 1 | 7 | 0 | 83 | 489.366 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.04 | 6.98 | -56.53 | 0 | 7 | -1 | 82 | 488.358 | 8 | ↓ |