In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2006 | 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) | 4.26 | 11.05 | -39.68 | 1 | 6 | 1 | 62 | 414.453 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.26 | 8.53 | -10.43 | 0 | 6 | 0 | 61 | 413.445 | 9 | ↓ |