In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 36 | 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) | 5.09 | 14.15 | -114.72 | 2 | 7 | 2 | 67 | 492.616 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.09 | 12.2 | -48.08 | 1 | 7 | 1 | 66 | 491.608 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.09 | 11.69 | -43.39 | 1 | 7 | 1 | 66 | 491.608 | 5 | ↓ |