In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2008 | 16 | 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) | 1.95 | 5.06 | -16.17 | 3 | 4 | 0 | 72 | 211.224 | 0 | ↓ |
Hi High (pH 8-9.5) | 2.40 | 3.94 | -48.24 | 2 | 4 | -1 | 75 | 210.216 | 0 | ↓ |