In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 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) | 2.35 | 6.38 | -23.19 | 2 | 9 | 0 | 110 | 476.599 | 13 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 5.25 | -55.85 | 1 | 9 | -1 | 116 | 475.591 | 13 | ↓ |