In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 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) | 2.78 | 8.3 | -43.19 | 4 | 4 | 1 | 64 | 340.491 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 7.98 | -9.1 | 3 | 4 | 0 | 62 | 339.483 | 3 | ↓ |