In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 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 | 6.58 | -20.99 | 1 | 3 | 0 | 57 | 238.29 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.72 | 5.76 | -48.1 | 0 | 3 | -1 | 60 | 237.282 | 3 | ↓ |