In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2008 | 27 | 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) | 2.66 | 10.7 | -46.27 | 1 | 5 | 1 | 43 | 369.485 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.66 | 8.78 | -12.63 | 0 | 5 | 0 | 42 | 368.477 | 6 | ↓ |