In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 9th, 2010 | 30 | 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) | 1.18 | 8.91 | -33.65 | 2 | 7 | 0 | 103 | 414.502 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.18 | 8.07 | -52.07 | 1 | 7 | -1 | 99 | 413.494 | 5 | ↓ |