In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2011 | 37 | 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) | 6.21 | 15.69 | -53.78 | 1 | 7 | 1 | 77 | 537.061 | 8 | ↓ |
Hi High (pH 8-9.5) | 6.21 | 13.25 | -23.74 | 0 | 7 | 0 | 76 | 536.053 | 8 | ↓ |