In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 30 | Yes |
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) | 0.57 | 6.25 | -49.33 | 2 | 8 | 1 | 76 | 417.53 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.57 | 4.01 | -20.6 | 1 | 8 | 0 | 74 | 416.522 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.57 | 6.23 | -52.32 | 2 | 8 | 1 | 76 | 417.53 | 7 | ↓ |