In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 16 | 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) | 2.18 | 6.7 | -54.86 | 2 | 5 | 1 | 72 | 225.268 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 5.26 | -10.17 | 1 | 5 | 0 | 67 | 224.26 | 5 | ↓ |