In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 20th, 2010 | 20 | 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) | 3.76 | 9.84 | -40.6 | 1 | 3 | 1 | 31 | 276.4 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.76 | 7.66 | -6.96 | 0 | 3 | 0 | 30 | 275.392 | 6 | ↓ |