In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 4th, 2008 | 8 | 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) | -2.24 | -8.99 | -30.61 | 5 | 5 | 0 | 100 | 120.108 | 0 | ↓ |
Hi High (pH 8-9.5) | -2.24 | -8.26 | -62.52 | 4 | 5 | -1 | 102 | 119.1 | 0 | ↓ |