In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 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) | 1.82 | 7.66 | -47.76 | 1 | 4 | 1 | 44 | 247.318 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.82 | 5.18 | -9.16 | 0 | 4 | 0 | 42 | 246.31 | 4 | ↓ |