In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2009 | 33 | 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) | 4.92 | 12.81 | -51.74 | 1 | 6 | 1 | 65 | 455.619 | 13 | ↓ |
Hi High (pH 8-9.5) | 4.92 | 10.49 | -12.58 | 0 | 6 | 0 | 64 | 454.611 | 13 | ↓ |