In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2011 | 15 | Yes |
None
None
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) | 0.40 | 4.08 | -46.61 | 2 | 5 | 1 | 51 | 211.289 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.40 | 1.62 | -12.3 | 1 | 5 | 0 | 50 | 210.281 | 5 | ↓ |