In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 20 | 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) | 2.05 | 8.45 | -56.34 | 2 | 3 | 1 | 50 | 265.336 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 7.36 | -7.72 | 1 | 3 | 0 | 45 | 264.328 | 3 | ↓ |