In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 31 | 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) | 4.19 | 12.8 | -47.33 | 2 | 5 | 1 | 59 | 455.673 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.19 | 10.56 | -10.79 | 1 | 5 | 0 | 58 | 454.665 | 7 | ↓ |