In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 18 | 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) | 2.20 | 4.36 | -38.87 | 3 | 4 | 1 | 65 | 271.406 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.20 | 3.97 | -9.94 | 2 | 4 | 0 | 63 | 270.398 | 7 | ↓ |