In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 34 | 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) | 4.15 | 13.08 | -54.9 | 2 | 6 | 1 | 63 | 464.63 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.15 | 10.61 | -20.22 | 1 | 6 | 0 | 62 | 463.622 | 8 | ↓ |