In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 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) | 1.25 | 8.19 | -52.84 | 1 | 6 | 1 | 57 | 316.41 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 5.99 | -16.89 | 0 | 6 | 0 | 55 | 315.402 | 2 | ↓ |