In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 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) | 3.76 | 11.91 | -57.08 | 0 | 5 | -1 | 73 | 411.481 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.76 | 10.61 | -18.16 | 1 | 5 | 0 | 71 | 412.489 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.76 | 11.05 | -48.82 | 2 | 5 | 1 | 72 | 413.497 | 5 | ↓ |