In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 21 | 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) | 2.81 | 5.88 | -46.02 | 3 | 6 | 1 | 80 | 295.359 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 6.89 | -70.71 | 2 | 6 | 0 | 83 | 294.351 | 8 | ↓ |