In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 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) | 3.91 | 9.31 | -46.95 | 3 | 7 | 1 | 81 | 456.607 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.91 | 7.62 | -9.97 | 2 | 7 | 0 | 80 | 455.599 | 11 | ↓ |