In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 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) | 2.63 | 6.52 | -32.83 | 2 | 7 | 1 | 77 | 387.485 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 7.87 | -51.26 | 2 | 7 | 1 | 77 | 387.485 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 6.12 | -20.57 | 1 | 7 | 0 | 76 | 386.477 | 7 | ↓ |