In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2009 | 33 | 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) | 3.33 | 12.61 | -37.91 | 1 | 7 | 1 | 68 | 441.559 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.33 | 12.31 | -15.31 | 0 | 7 | 0 | 67 | 440.551 | 3 | ↓ |