In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 1st, 2009 | 35 | 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) | 4.74 | 12.61 | -55.95 | 1 | 7 | 1 | 74 | 485.645 | 14 | ↓ |
Hi High (pH 8-9.5) | 4.74 | 10.23 | -15.1 | 0 | 7 | 0 | 73 | 484.637 | 14 | ↓ |