In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 32 | No |
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) | 4.91 | 12.2 | -19.42 | 1 | 6 | 0 | 70 | 491.034 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.97 | 11.04 | -60.05 | 0 | 6 | -1 | 76 | 490.026 | 9 | ↓ |