In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 22 | 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) | 2.32 | 3.77 | -53.93 | 3 | 5 | 1 | 80 | 322.406 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.32 | 2.27 | -11.7 | 2 | 5 | 0 | 76 | 321.398 | 6 | ↓ |