In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 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) | 3.26 | 8.48 | -34.53 | 1 | 2 | 1 | 8 | 247.406 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.26 | 6.54 | -1.93 | 0 | 2 | 0 | 6 | 246.398 | 5 | ↓ |