In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 29 | 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) | 2.76 | 8.54 | -12.1 | 0 | 5 | 0 | 42 | 400.494 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.76 | 10.81 | -47.8 | 1 | 5 | 1 | 43 | 401.502 | 8 | ↓ |