In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2006 | 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) | 2.22 | 4 | -15.25 | 2 | 4 | 0 | 59 | 223.272 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 5.21 | -54.43 | 1 | 4 | -1 | 61 | 222.264 | 5 | ↓ |