In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 25 | 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) | 1.84 | 5.7 | -51.52 | 3 | 6 | 1 | 80 | 366.507 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 2.9 | -48.98 | 2 | 6 | 0 | 83 | 365.499 | 7 | ↓ |