In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 12 | 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) | 0.61 | 4.84 | -45.43 | 3 | 1 | 1 | 28 | 182.312 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 4.54 | -2.86 | 2 | 1 | 0 | 26 | 181.304 | 2 | ↓ |