In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 17 | 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) | 0.94 | -7.57 | -57.24 | 4 | 5 | 1 | 86 | 270.359 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.94 | -7.01 | -74.25 | 3 | 5 | 0 | 88 | 269.351 | 4 | ↓ |