In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 9th, 2006 | 23 | 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) | 2.94 | -4.25 | -16.39 | 1 | 5 | 0 | 66 | 395.278 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.94 | -3.67 | -47.05 | 0 | 5 | -1 | 68 | 394.27 | 3 | ↓ |