In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2010 | 22 | 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) | 0.02 | 1.4 | -48.5 | 4 | 7 | 1 | 99 | 327.43 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.02 | -0.84 | -12.91 | 3 | 7 | 0 | 97 | 326.422 | 4 | ↓ |